10967/14 - QDB Compounds

QsarDB Repository

Schultz, T.W.; Netzeva, T.I.; Roberts, D.W.; Cronin, M.T.D. Structure-Toxicity Relationships for the Effects to Tetrahymena pyriformis of Aliphatic, Carbonyl-Containing, α,β-Unsaturated Chemicals. Chem. Res. Toxicol. 2005, 18, 2, 330–341.

Compound

ID:62
Name:crotonic acid tert-butyl ester
Description:
Labels:
CAS:79218-15-8
InChi Code:

Properties

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

ValueSource or prediction
-0.639

experimental value

0.584

1: Aliphatic compounds (Training)

-0.246

7: Vinylene-containing esters (Training)

-0.620

8: Vinylene-containing esters (Training)

-0.225

9: Methacrylates and vinylene-containing esters (Training)