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:3
Name:2,4-dimethyl-2,6-heptadienal
Description:
Labels:
CAS:
InChi Code:

Properties

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

ValueSource or prediction
0.083

experimental value

0.354

1: Aliphatic compounds (Training)

0.784

2: α,β-unsaturated aldehydes (Training)

1.091

3: α,β-unsaturated aldehydes (Training)

1.530

4: α,β-unsaturated aldehydes (Training)