10967/30 - QDB Compounds

QsarDB Repository

Cronin, M.T.D.; Aptula, A.O.; Duffy, J.C.; Netzeva, T.I.; Rowe, P.H.; Valkova, I.V.; Schultz, T.W. Comparative assessment of methods to develop QSARs for the prediction of the toxicity of phenols to Tetrahymena pyriformis. Chemosphere 2002, 49, 10, 1201–1221.

Compound

ID:189
Name:4-Nitrocatechol
Description:
Labels:training
CAS:3316-09-4
InChi Code:

Properties

MOA: Mode of action

ValueSource or prediction
Soft electrophile

experimental value

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

ValueSource or prediction
1.17

experimental value

1.01

4: All compounds (Training)

1.09

5: Selected compounds (Training)

1.15

8: All compounds (Training)

1.26

9: Selected compounds (Training)

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