Propoxur
PubChem CID: 4944
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| Compound Synonyms | propoxur, 114-26-1, Baygon, 2-Isopropoxyphenyl methylcarbamate, Aprocarb, Propoxure, Sendran, Propoxylor, Blattanex, Blattosep, Mrowkozol, Propotox, Suncide, Bolfo, Boruho, Brygou, 2-Isopropoxyphenyl N-methylcarbamate, Dalf dust, Invisi-Gard, Arprocarb, Isocarb, Propyon, Rhoden, Bifex, Boruho 50, IPMC, o-Impc, Tugon fliegenkugel, Unden (Pesticide), Bayer B 5122, Bayer 39007, Propoksuru, Chemagro 9010, Unden 50PM, PHC 7, 2-(1-Methylethoxy)phenol methylcarbamate, Bay 9010, ENT 25,671, Phenol, 2-(1-methylethoxy)-, methylcarbamate, O-(2-Isopropoxyphenyl) N-methylcarbamate, BAY 5122, o-Isopropoxyphenyl N-methylcarbamate, BAY 39007, Phenol, o-isopropoxy-, methylcarbamate, 2-(1-methylethoxy)phenyl methylcarbamate, CHEBI:34938, o-Isopropoxyphenyl methylcarbamate, 2-Isopropoxyphenyl-N-methylcarbamat, Carbamic acid, methyl-, o-isopropoxyphenyl ester, NSC-379584, 2-Methylethoxyphenyl carbamate, 2-(1-Methylethoxy)phenyl N-methylcarbamate, BFH029TL73, (2-propan-2-yloxyphenyl) N-methylcarbamate, DTXSID7021948, 2-(propan-2-yloxy)phenyl methylcarbamate, 2-[(1-methylethyl)oxy]phenyl methylcarbamate, PHC (carbamate), DTXCID301948, Propoksuru [Polish], Caswell No. 508, CAS-114-26-1, NSC 379584, CCRIS 1392, HSDB 603, OMS-33, Propoxur [INN:BAN], EINECS 204-043-8, EPA Pesticide Chemical Code 047802, BRN 1879891, UNII-BFH029TL73, Pillargon, Propogon, Boygon, AI3-25671, OMS 33, 2-Isopropoxyphenyl-N-methylcarbamat [German], Propoxur (BAN), MFCD00055455, Propoxur (Standard), Bolfo (TN), Spectrum_001923, PROPOXUR [HSDB], SpecPlus_000554, PROPOXUR [JAN], PROPOXUR [MI], Spectrum2_001232, Spectrum3_000857, Spectrum4_000697, Spectrum5_002032, PROPOXUR [MART.], SCHEMBL27794, BSPBio_002473, KBioGR_001193, KBioSS_002465, SPECTRUM330066, MLS002207242, BIDD:ER0307, DivK1c_006650, SPBio_001104, Isopropoxyphenyl methylcarbamate, CHEMBL446060, HY-B0916R, ISRUGXGCCGIOQO-UHFFFAOYSA-, KBio1_001594, KBio2_002458, KBio2_005026, KBio2_007594, KBio3_001973, HMS3264G19, Pharmakon1600-00330066, HY-B0916, MSK20270, 2-Isopropoxyphenyl-N-methylcarbamate, N-Methyl-2-isopropoxyphenylcarbamate, Tox21_201968, Tox21_301207, BDBM50064617, CCG-39115, NSC379584, NSC755890, AKOS015889907, NSC-755890, NCGC00094544-01, NCGC00094544-02, NCGC00094544-03, NCGC00094544-04, NCGC00094544-05, NCGC00094544-06, NCGC00094544-07, NCGC00255104-01, NCGC00259517-01, 1ST20270, AS-50078, SMR000778062, 2-(1-Methylethoxy)phenyl methyl carbamate, SBI-0052551.P002, DB-041207, NS00010600, P2894, Propoxur, PESTANAL(R), analytical standard, D08442, O10810, AB00053059_04, Q411303, SR-01000872751, SR-01000872751-1, BRD-K08231299-001-08-1, Phenol, 2-(1-methylethoxy)-, 1-(N-methylcarbamate), Carbamic acid, methyl-, 2-(1-methylethoxy)phenyl ester, InChI=1/C11H15NO3/c1-8(2)14-9-6-4-5-7-10(9)15-11(13)12-3/h4-8H,1-3H3,(H,12,13), PHC |
|---|---|
| Topological Polar Surface Area | 47.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 206.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O00519, P00352, P83916, n.a., P22303, Q869C3, O75496, P04637, Q9NUW8, Q9NPD5, Q9Y6L6, P0DTD1 |
| Iupac Name | (2-propan-2-yloxyphenyl) N-methylcarbamate |
| Prediction Hob | 1.0 |
| Target Id | NPT94, NPT204 |
| Xlogp | 1.5 |
| Molecular Formula | C11H15NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ISRUGXGCCGIOQO-UHFFFAOYSA-N |
| Fcsp3 | 0.3636363636363636 |
| Logs | -2.365 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.352 |
| Compound Name | Propoxur |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 209.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 209.105 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 209.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.3978189999999997 |
| Inchi | InChI=1S/C11H15NO3/c1-8(2)14-9-6-4-5-7-10(9)15-11(13)12-3/h4-8H,1-3H3,(H,12,13) |
| Smiles | CC(C)OC1=CC=CC=C1OC(=O)NC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Myristica Fragrans (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all