10967/229 - 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 acute toxicity to Daphnia magna. Q13-31-0060. 2010.

Compound

ID:101
Name:2-methyl-1-propanol
Description:
Labels:
CAS:78-83-1
InChi Code:InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3

Properties

logLC50: 48-h Daphnia toxicity as log(LC50) [mol/L]

ValueSource or prediction
-1.82

experimental value

-1.38

QSAR: Model for Daphnia toxicity (Tarining set)