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:44
Name:Parathion
Description:
Labels:
CAS:56-38-2
InChi Code:InChI=1S/C10H14NO5PS/c1-3-14-17(18,15-4-2)16-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3

Properties

logKoc: Logarithm of soil sorption coefficient

ValueSource or prediction
3.2

experimental value

2.92

QSAR: Model for soil sorption (Training set)