10967/33 - QDB Compounds

QsarDB Repository

Seward, J.R.; Sinks, G.D.; Schultz, T.W. Reproducibility of toxicity across mode of toxic action in the Tetrahymena population growth impairment assay. Aquat. Toxicol. 2001, 53, 1, 33–47.

Compound

ID:44
Name:3-hexyn-2-one
Description:
Labels:
CAS:1679-36-3
InChi Code:

Properties

pIGC50: 40-h Tetrahymena toxicity as log(1/IGC50) [log(L/mmol)]

ValueSource or prediction
1.3192

Schultz, T. W.; Sinks, G. D.; Hunter, R. S. Structure-Toxicity Relationships For Alkanones and Alkenones. SAR QSAR Environ. Res. 1995, 3, 27–36. https://doi.org/10.1080/10629369508233991

MOA_1: Mode of action

ValueSource or prediction
Electro(nucleo)philicity

experimental value

MOA_2: Mode of action

ValueSource or prediction
Electrophile

experimental value

Links to External Resources