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:72
Name:methyl-2-nonenoate
Description:
Labels:
CAS:111-79-5
InChi Code:

Properties

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

ValueSource or prediction
1.039

experimental value

1.457

1: Aliphatic compounds (Training)

0.786

7: Vinylene-containing esters (Training)

0.864

8: Vinylene-containing esters (Training)

0.896

9: Methacrylates and vinylene-containing esters (Training)