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:69
Name:2-Butyn-1-ol
Description:
Labels:
CAS:764-01-2
InChi Code:

Properties

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

ValueSource or prediction
0.84

experimental value

0.37

14: Proelectrophilicity (Training)

1.12

22: Proelectrophilicity (Training)

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

ValueSource or prediction
-1.43

experimental value

-1.00

13: Proelectrophilicity (Training)

-0.74

21: Proelectrophilicity (Training)

MOA: Mode of action

ValueSource or prediction
Pro-electrophile

experimental value

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