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:115
Name:EPTC
Description:
Labels:
CAS:759-94-4
InChi Code:InChI=1S/C9H19NOS/c1-4-7-10(8-5-2)9(11)12-6-3/h4-8H2,1-3H3

Properties

logKoc: Logarithm of soil sorption coefficient

ValueSource or prediction
2.38

experimental value

1.9

QSAR: Model for soil sorption (Test set)