1-Naphthoic acid
PubChem CID: 6847
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| Compound Synonyms | 1-NAPHTHOIC ACID, 86-55-5, 1-Naphthalenecarboxylic acid, NAPHTHOIC ACID, naphthalene-1-carboxylic acid, alpha-Naphthoic acid, 1-Carboxynaphthalene, Naphthalenecarboxylic acid, Carboxynaphthalene, 1320-04-3, alpha-Naphthylcarboxylic acid, .alpha.-Naphthoic acid, Naphthalene-alpha-carboxylic acid, MFCD00004007, CHEBI:36466, AI3-16902, UNII-2NIV4O66BH, EINECS 201-681-9, 1-Naphthioic acid, 2NIV4O66BH, NSC 37569, NSC-37569, .alpha.-Naphthylcarboxylic acid, 1-NAPHTHOIC ACID [MI], DTXSID50861668, Naphthalene-.alpha.-carboxylic acid, 1-Naphthoicacid, a-naphthoate, alpha-naphthoate, a-naphthoic acid, l-naphthoic acid, 1-naphtoic acid, 1-napthoic acid, 1Carboxynaphthalene, alphaNaphthoic acid, 1--Naphthoic acid, 1-naphthalenecarboxylate, naphthalene carboxylic acid, 1Naphthalenecarboxylic acid, 1-Naphthoic acid, 96%, alphaNaphthylcarboxylic acid, bmse000178, CHEMBL1160, SCHEMBL17258, 1-naphthalene carboxylic acid, Naphthalenealphacarboxylic acid, naphthalene mono carboxylic acid, CHEBI:25483, DTXCID90810559, BCP27257, HY-Y0236, NSC37569, AC8079, BDBM50634279, STL169143, AKOS000120400, AC-4952, CCG-208689, CS-W020013, FN33500, FS-3492, SY005963, N0024, NS00004333, EN300-20214, AE-508/40217755, Q21050984, F3110-2246, 201-681-9 |
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| 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 |
| Np Classifier Class | Phenanthrenes |
| Deep Smiles | OC=O)cccccc6cccc6 |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Naphthalenes |
| Scaffold Graph Node Level | C1CCC2CCCCC2C1 |
| Classyfire Subclass | Naphthalenecarboxylic acids and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 200.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | naphthalene-1-carboxylic acid |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 3.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H8O2 |
| Scaffold Graph Node Bond Level | c1ccc2ccccc2c1 |
| Inchi Key | LNETULKMXZVUST-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | naphthoic acid |
| Esol Class | Soluble |
| Functional Groups | cC(=O)O |
| Compound Name | 1-Naphthoic acid |
| Exact Mass | 172.052 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 172.052 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 172.18 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C11H8O2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,12,13) |
| Smiles | C1=CC=C2C(=C1)C=CC=C2C(=O)O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Phenanthrenoids |
- 1. Outgoing r'ship
FOUND_INto/from Valeriana Jatamansi (Plant) Rel Props:Reference:ISBN:9788171360536