1-Naphthaleneacetic acid
PubChem CID: 6862
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| Compound Synonyms | 86-87-3, 1-Naphthylacetic acid, 1-NAPHTHALENEACETIC ACID, 2-(Naphthalen-1-Yl)Acetic Acid, Naphthalene-1-acetic acid, 1-Naphthalene acetic acid, NAPHTHALENEACETIC ACID, Phyomone, Planofix, Fruitone N, Fruitofix, Planofixe, Transplantone, Celmone, alpha-Naphthylacetic acid, Tre-hold, Stop-Drop, alpha-NAA, Alphaspra, Klingtite, Nafusaku, Primacol, Rhodofix, Tip-Off, Agronaa, Biokor, Etifix, Pomoxon, Stafast, Tekkam, Vardhak, Alman, Rasin, 2-(1-Naphthyl)acetic acid, Liqui-stik, Pimacol-Sol, Appl-set, Rhizopon B, alpha-Naphthaleneacetic acid, naphthalen-1-ylacetic acid, Niagara-Stik, Nu-Tone, Naphthylacetic acid, Floramon, Hormofix, Plucker, Regenasol, Fruit Fix, NAA, 1-Naphthtaleneacetic acid, 1-Naphthylessigsaeure, Naphyl-1-essigsaeure, NAPHTHALEN-1-YL-ACETIC ACID, Caswell No. 589, .alpha.-NAA, STIK, Germon, 1-NAA, 2-naphthalen-1-ylacetic acid, .alpha.-Naphthaleneacetic acid, Stimolante 66f, HSDB 2038, alpha-Naphthyleneacetic acid, .alpha.-Naphthylacetic acid, Acide naphtylacetique, Acide naphthylacetique, Naphthaleneacetic acid (VAN), NSC 15772, Naphthyl-1-essigsaeure, 1-naphthyl acetic acid, Acide naphtylacetique [French], Fruitone, Naphyl-1-essigsaeure [German], Phymone, Kyselina 1-naftyloctova, 2-(alpha-Naphthyl)ethanoic aid, Acide naphthylacetique [French], alpha-Naphthylessigsaeure, EPA Pesticide Chemical Code 056002, 2-(alpha-Naphthyl)ethanoic acid, Kyselina 1-naftyloctova [Czech], Naphthyl-1-essigsaeure [German], NAA 800, N 10, alpha-Naphthylessigsaeure [German], AI3-16113, Acide naphtylacetique [ISO-French], 26445-01-2, EINECS 201-705-8, NAFTAL, CCRIS 8814, ANU, DTXSID8020915, CHEBI:32918, a-naphthaleneacetic acid, MFCD00004046, NSC-15772, RAIZON 05, 33T7G7757C, (Naphthalen-1-yl)acetic acid, 1-Naphthylacetic acid (JAN), DTXCID60915, .alpha.-Naphthyleneacetic acid, CHEMBL428495, NAPHTHYLACETIC ACID [MART.], 1-NAPHTHYLACETIC ACID [JAN], 1-NAPHTHALENEACETIC ACID [MI], ALPHA-NAPHTHYLACETIC ACID [HSDB], NCGC00090987-02, NCGC00090987-03, 1-NAPHTHALENEACETIC ACID [WHO-DD], 2-(.ALPHA.-NAPHTHYL)ETHANOIC ACID, NLA, Acide naphtylacetique (French), (Naphthalen-1-yl)acetic Acid (1-Naphthylacetic Acid), NAPHAZOLINE HYDROCHLORIDE IMPURITY B [EP IMPURITY], Acide naphtylacetique (ISO-French), NAPHTHYLACETIC ACID (MART.), CAS-86-87-3, NAPHTHYL-1-ESSIGSAEURE (GERMAN), ALPHA-NAPHTHYLESSIGSAEURE (GERMAN), alpha-naphthyl acetic acid, NAPHAZOLINE HYDROCHLORIDE IMPURITY B (EP IMPURITY), Niagarastik, Pimacolsol, Applset, Liquistik, StopDrop, TreHold, TipOff, alphaNAA, NUTone, UNII-33T7G7757C, Naphyl1essigsaeure, 1lrh, 1Naphthylessigsaeure, Naphthyl1essigsaeure, naphthyl acetic acid, 1Naphthylacetic Acid, NAA (auxin), Naphthalene-1 acetic, naphthalenylacetic acid, Fruitone (Salt/Mix), Kyselina 1naftyloctova, alphaNaphthylessigsaeure, Naphthalene1acetic acid, alphaNaphthylacetic acid, (1-naphthyl)acetic acid, 1-naphtalene acetic acid, 2-naphthalyl acetic acid, 2(1Naphthyl)acetic acid, Naphtalene-1-acetic acid, 1-naphthaleneethanoic acid, alphaNaphthyleneacetic acid, I+/--Naphthylacetic acid, (naphth-1-yl)acetic acid, .alpha.-Naphthylessigsaeure, 2-(1-naphtyl)acetic acid, 2(alphaNaphthyl)ethanoic aid, Oprea1_374703, SCHEMBL35925, WLN: L66J B1VQ, 1-Naphthaleneacetic acid, NAA, MLS001055368, 1-Naphthylacetic acid (NAA), [3H]-NAA, 1-Naphthaleneacetic acid, 97%, acetic acid, 2-(1-naphthyl)-, CHEBI:35629, 1-Naphthaleneacetic acid (solid), HMS1649K07, HMS3039O06, HMS3604I22, MSK24028, NSC15772, Tox21_111051, Tox21_400007, AC-640, BBL011795, BDBM50022186, s9362, STL163395, (1-Naphthyl)acetic acid, BSI, ISO, AKOS000104252, alpha-Naphthaleneacetic acid Free acid, Tox21_111051_1, 1-Naphthalene-4-t-acetic acid (9CI), CCG-266475, CS-6285, DB01750, FN14792, FS-2548, 1-NAPHTHALENEACETIC ACID [INCI], s12283, USEPA/OPP Pesticide Code: 056002, NCGC00090987-01, NCGC00090987-04, NCGC00090987-05, 1-Naphthaleneacetic acid, technical grade, 1ST24028, HY-18570, N 40, PD008449, SMR000677931, 1-Naphthaleneacetic acid (7CI,8CI,9CI), DB-010855, N0005, NS00002971, EN300-18112, D01558, SBI-0653881.0001, AE-508/13205220, Q161660, Z57169437, F0020-1890, 1-Naphthaleneacetic acid, PESTANAL(R), analytical standard, 1-Naphthylacetic acid, 1 mg/mL, BioReagent, plant cell culture tested, 1-Naphthaleneacetic acid, plant cell culture tested, BioReagent, >=95%, crystalline, 201-705-8 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CCCCC2C1 |
| Deep Smiles | OC=O)Ccccccc6cccc6 |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Naphthalenes |
| Scaffold Graph Node Level | C1CCC2CCCCC2C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 212.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P07943, Q9NUW8, Q96QE3, Q9UNA4, P10828, P37231, O75496, O75874, P10275, Q03181 |
| Iupac Name | 2-naphthalen-1-ylacetic acid |
| Prediction Hob | 1.0 |
| Class | Naphthalenes |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Target Id | NPT50 |
| Xlogp | 2.7 |
| Superclass | Benzenoids |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H10O2 |
| Scaffold Graph Node Bond Level | c1ccc2ccccc2c1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PRPINYUDVPFIRX-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.0833333333333333 |
| Logs | -2.848 |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Logd | 3.561 |
| Synonyms | (Naphthalen-1-yl)acetic acid, 1-Naphthylacetic acid, alpha-NAA, alpha-Naphthaleneacetic acid, NAA, NAPHTHALEN-1-yl-acetIC ACID, Naphthalene-1-acetic acid, alpha-Naphthylacetic acid, (Naphthalen-1-yl)acetate, 1-Naphthylacetate, a-NAA, Α-naa, a-Naphthaleneacetate, a-Naphthaleneacetic acid, alpha-Naphthaleneacetate, Α-naphthaleneacetate, Α-naphthaleneacetic acid, NAPHTHALEN-1-yl-acetate, Naphthalene-1-acetate, a-Naphthylacetate, a-Naphthylacetic acid, alpha-Naphthylacetate, Α-naphthylacetate, Α-naphthylacetic acid, 1-Naphthaleneacetate, (1-Naphthyl)acetic acid, bsi, iso, 1-NAA, 2-(alpha-Naphthyl)ethanoic acid, Fruitone N, Phyomone, Planofix, Tre-hold, 1-Naphthaleneacetic acid, ammonium salt, 1-Naphthaleneacetic acid, potassium salt, 1-Naphthaleneacetic acid, sodium salt, Galle-donau, 2-(1-Naphthyl)acetic acid, 2-(Naphthalen-1-yl)acetic acid, Potassium 1-naphthaleneacetate, Sodium 1-naphthaleneacetate, 1-Naphthaleneacetic acid, 1-naphthylacetic acid, 2-1-naphthylacetic acid |
| Esol Class | Soluble |
| Functional Groups | CC(=O)O |
| Compound Name | 1-Naphthaleneacetic acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 186.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 186.068 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 186.21 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -2.802273428571428 |
| Inchi | InChI=1S/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14) |
| Smiles | C1=CC=C2C(=C1)C=CC=C2CC(=O)O |
| Nring | 2.0 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Naphthalenes |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/16665302 - 2. Outgoing r'ship
FOUND_INto/from Carapichea Ipecacuanha (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Prunus Persica (Plant) Rel Props:Reference:ISBN:9788185042145