10967/167 - QDB Compounds

QsarDB Repository

Mombelli, E.; Pery, A. R. R. A Linear Model to Predict Chronic Effects of Chemicals on Daphnia magna. Bull. Environ. Contam. Toxicol. 2011, 87, 494–498.

Compound

ID:35
Name:octane
Description:
Labels:tested_1998, Training
CAS:111-65-9
InChi Code:InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3

Properties

pEC50_chronic: 21-day chronic Daphnia toxicity as log(1/EC50) [log(L/mmol)] i

ValueSource or prediction
3.05789422

experimental value

3.231338

Tab1: QAAR with acute toxicity to Daphnia (Training set)

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