10967/41 - QDB Compounds

QsarDB Repository

Bearden, A.P.; Schultz, T.W. Structure-Activity Relationships for Pimephales and Tetrahymena: a Mechanism of Action Approach. Environ. Toxicol. Chem. 1997, 16, 6, 1311–1317.

Compound

ID:66
Name:2,4-Dinitrotoluene
Description:
Labels:
CAS:121-14-2
InChi Code:

Properties

pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [log(L/mmol)]

ValueSource or prediction
0.88

experimental value

1.28

12: Soft electrophilicity (Training)

1.73

20: Soft electrophilicity (Training)

pIGC50: 2-day Tetrahymena toxicity as log(1/IGC50) [log(L/mmol)]

ValueSource or prediction
0.64

experimental value

0.84

11: Soft electrophilicity (Training)

1.19

19: Soft electrophilicity (Training)

MOA: Mode of action

ValueSource or prediction
Soft electrophile

experimental value

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