10967/11 - QDB Compounds

QsarDB Repository

Schultz, T.W.; Cronin, M.T.D.; Netzeva, T.I.; Aptula, A.O. Structure-Toxicity Relationships for Aliphatic Chemicals Evaluated with Tetrahymena pyriformis. Chem. Res. Toxicol. 2002, 15, 12, 1602–1609.

Compound

ID:486
Name:3-chloro-2-butanone
Description:
Labels:
CAS:4091-39-8
InChi Code:

Properties

MOA: Mode of action

ValueSource or prediction
SN2 halo-activation

experimental value

pIGC50: 40-h Tetrahymena toxicity as log(1/IGC50) [log(L/mmol)]

ValueSource or prediction
0.2690

experimental value