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:28
Name:1-penten-3-one
Description:
Labels:
CAS:1629-58-9
InChi Code:

Properties

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

ValueSource or prediction
1.527

experimental value

-0.749

1: Aliphatic compounds (Training)

1.897

5: α,β-unsaturated ketones (Training)

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