10967/55 - QDB Compounds

QsarDB Repository

Jaworska, J.S.; Hunter, R.S.; Schultz, T.W. Quantitative Structure-Toxicity Relationships and Volume Fraction Analyses for Selected Esters. Arch. Environ. Contam. Toxicol. 1995, 29, 1, 86–93.

Compound

ID:24
Name:Methyl octanoate
Description:
Labels:validation
CAS:111-11-5
InChi Code:

Properties

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

ValueSource or prediction
0.536

experimental value

0.702

2: Validation esters (Training)

0.825

3: Validation esters (Training)

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