10967/223 - QDB Compounds

QsarDB Repository

Tulp, I.; Tamm, T.; Karelson, G.; Dobchev, D.; Martin, D.; Tämm, K.; Savchenko, D.; Jänes, J.; Härk, E.; Kreegipuu, A.; Karelson, M. QSAR for abiotic degradation in air. Q13-22a-0034. Molcode Ltd., 2010.

Compound

ID:184
Name:isopropalin
Description:
Labels:
CAS:33820-53-0
InChi Code:InChI=1S/C15H23N3O4/c1-5-7-16(8-6-2)15-13(17(19)20)9-12(11(3)4)10-14(15)18(21)22/h9-11H,5-8H2,1-4H3

Properties

logT(0.5): Degradation half-life in air [log(h)]

ValueSource or prediction
1.23

experimental value

1.2

QSAR: Model for degradation half-life (Test set)