10967/76 - QDB Compounds

QsarDB Repository

Ellison, C.M.; Cronin, M.T.D.; Madden, J.C.; Schultz, T.W. Definition of the structural domain of the baseline non-polar narcosis model for Tetrahymena pyriformis. SAR QSAR Environ. Res. 2008, 19, 7-8, 751–783.

Compound

ID:440
Name:2-Bromoethylphenylsulfide
Description:InChI code was generated with Jchem for Excel
Labels:Sulfide
CAS:4837-01-8
InChi Code:InChI=1S/C8H9BrS/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7H2

Properties

pIGC50: 40-h Tetrahymena toxicity as log(1/IGC50) [log(L/mmol)]

ValueSource or prediction
0.39

experimental value

0.67

Eq2: Saturated alcohols and ketones (Test set)