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:78
Name:2-Butyn-1,4-diol
Description:
Labels:
CAS:110-65-6
InChi Code:

Properties

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

ValueSource or prediction
0.21

experimental value

0.01

14: Proelectrophilicity (Training)

0.58

22: Proelectrophilicity (Training)

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

ValueSource or prediction
-1.19

experimental value

-1.89

13: Proelectrophilicity (Training)

-1.67

21: Proelectrophilicity (Training)

MOA: Mode of action

ValueSource or prediction
Pro-electrophile

experimental value