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:168
Name:Methyl-2,5-dichlorobenzoate
Description:InChI code was generated with Jchem for Excel
Labels:Benzoate
CAS:2905-69-3
InChi Code:InChI=1S/C8H6Cl2O2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,1H3

Properties

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

ValueSource or prediction
0.81

experimental value

0.42

Eq2: Saturated alcohols and ketones (Test set)

Links to External Resources