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:5
Name:Hexyl acetate
Description:
Labels:training
CAS:142-92-7
InChi Code:

Properties

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

ValueSource or prediction
1.516

experimental value

1.345

4: Training esters (Training)

1.140

5: Training esters (Training)

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

ValueSource or prediction
-0.008

experimental value

0.301

1: Training esters (Training)

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