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:4
Name:Butylacetate
Description:
Labels:training
CAS:123-86-4
InChi Code:

Properties

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

ValueSource or prediction
0.810

experimental value

0.623

4: Training esters (Training)

0.462

5: Training esters (Training)

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

ValueSource or prediction
-0.486

experimental value

-0.562

1: Training esters (Training)