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:75
Name:3-Butyn-2-ol
Description:
Labels:
CAS:65337-13-5
InChi Code:

Properties

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

ValueSource or prediction
0.78

experimental value

0.33

14: Proelectrophilicity (Training)

0.81

22: Proelectrophilicity (Training)

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

ValueSource or prediction
-0.40

experimental value

-1.10

13: Proelectrophilicity (Training)

-0.93

21: Proelectrophilicity (Training)

MOA: Mode of action

ValueSource or prediction
Pro-electrophile

experimental value

Links to External Resources