10967/9 - QDB Compounds

QsarDB Repository

Cronin, M.T.D.; Manga, N.; Seward, J.R.; Sinks, G.D.; Schultz, T.W. Parametrization of Electrophilicity for the Prediction of the Toxicity of Aromatic Compounds. Chem. Res. Toxicol. 2001, 14, 11, 1498–1505.

Compound

ID:22
Name:2-(hydroxymethyl)nitrobenzene
Description:
Labels:
CAS:612-25-9
InChi Code:

Properties

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

ValueSource or prediction
-0.16

experimental value

0.23

4: All compounds (Training)

0.11

7: All compounds (Training)

0.19

10: Selected compounds (Training)

0.04

11: Selected compounds (Training)