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:9
Name:3-butyn-1-ol
Description:
Labels:
CAS:927-74-2
InChi Code:

Properties

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

ValueSource or prediction
-1.8390

Schultz, T. W.; Kissel, T. S.; Tichy, M. Structure-toxicity relationships for unsaturated alcohols to Tetrahymena pyriformis: 3-alkyn-1-ols and 2-alken-1-ols. Bull. Environ. Contam. Toxicol. 1994, 53, 179–185. http://dx.doi.org/10.1007/BF00192030

MOA_1: Mode of action

ValueSource or prediction
Electro(nucleo)philicity

experimental value

MOA_2: Mode of action

ValueSource or prediction
Biotic transformation to toxic form

experimental value

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