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:212
Name:Bis(chloromethyl)ether
Description:
Labels:
CAS:542-88-1
InChi Code:InChI=1S/C2H4Cl2O/c3-1-5-2-4/h1-2H2

Properties

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

ValueSource or prediction
1.23

experimental value

2.09

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