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:76
Name:2-Decyn-1-ol
Description:
Labels:
CAS:4117-14-0
InChi Code:

Properties

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

ValueSource or prediction
2.16

experimental value

0.94

14: Proelectrophilicity (Training)

2.32

22: Proelectrophilicity (Training)

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

ValueSource or prediction
0.98

experimental value

0.43

13: Proelectrophilicity (Training)

0.88

21: Proelectrophilicity (Training)

MOA: Mode of action

ValueSource or prediction
Pro-electrophile

experimental value

Links to External Resources