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:12
Name:tert-amylalcohol
Description:
Labels:
CAS:75-85-4
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
-1.1729

experimental value

-1.1465

1: Non-polar narcosis (Training)

-1.0978

2: Alcohols (Training)