10967/228 - QDB Compounds

QsarDB Repository

Tulp, I.; Tamm, T.; Dobchev, D.; Martin, D.; Karelson, G.; Jänes, J.; Tämm, K.; Härk, E.; Savchenko, D.; Kreegipuu, A.; Karelson, M. QSAR for the soil adsorption coefficient Koc. Q13-26-0009. 2009.

Compound

ID:102
Name:Demeton-S-methyl
Description:
Labels:
CAS:919-86-8
InChi Code:InChI=1S/C6H15O3PS2/c1-4-11-5-6-12-10(7,8-2)9-3/h4-6H2,1-3H3

Properties

logKoc: Logarithm of soil sorption coefficient

ValueSource or prediction
1.49

experimental value

2.13

QSAR: Model for soil sorption (Training set)