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:212
Name:butyl sulfone
Description:
Labels:
CAS:598-04-9
InChi Code:

Properties

MOA: Mode of action

ValueSource or prediction
Nonpolar narcotic

experimental value

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

ValueSource or prediction
-0.2563

experimental value

-0.5175

1: Non-polar narcosis (Training)

-0.3790

6: Sulfur-containing compounds (Training)