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:1041
Name:[(R)-ethoxy(4-methanesulfonyl-3-methylphenoxy)phosphoryl](propan-2-yl)amine
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Fenamiphos Sulfone
Labels:
CAS:31972-44-8
InChi Code:InChI=1S/C13H22NO5PS/c1-6-18-20(15,14-10(2)3)19-12-7-8-13(11(4)9-12)21(5,16)17/h7-10H,6H2,1-5H3,(H,14,15)/t20-/m1/s1

Properties

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

ValueSource or prediction
1.64

experimental value

2.5763

Tab2.Model_2: logKoc (Training set)