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:1051
Name:ethoxy-(4-methylsulfanylphenoxy)-propylsulfanyl-sulfanylidenephosphorane
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Sulprofos
Labels:
CAS:35400-43-2
InChi Code:InChI=1S/C12H19O2PS3/c1-4-10-18-15(16,13-5-2)14-11-6-8-12(17-3)9-7-11/h6-9H,4-5,10H2,1-3H3/t15-/m0/s1

Properties

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

ValueSource or prediction
4.25

experimental value

4.2482

Tab2.Model_2: logKoc (Training set)