10967/177 - QDB Compounds

QsarDB Repository

Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.

Compound

ID:1018
Name:[(R)-ethoxy[3-methyl-4-(methylsulfanyl)phenoxy]phosphoryl](propan-2-yl)amine
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Fenamiphos
Labels:
CAS:22224-92-6
InChi Code:InChI=1S/C13H22NO3PS/c1-6-16-18(15,14-10(2)3)17-12-7-8-13(19-5)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15)/t18-/m1/s1

Properties

M2.logKoc: Soil sorption coefficient as log(Koc) i

ValueSource or prediction
2.52

experimental value

2.991

Tab2.Model_2: logKoc (Training set)