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:213
Name:4-[2-(4-hydroxyphenyl)-4-methylpentan-2-yl]phenol
Description:
Labels:tested_2000, Test
CAS:6807-17-6
InChi Code:InChI=1S/C18H22O2/c1-13(2)12-18(3,14-4-8-16(19)9-5-14)15-6-10-17(20)11-7-15/h4-11,13,19-20H,12H2,1-3H3

Properties

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

ValueSource or prediction
1.70773082

experimental value

1.946898

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