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:461
Name:2-Ethylthiophene
Description:InChI code was generated with Jchem for Excel
Labels:Thiophene
CAS:872-55-9
InChi Code:InChI=1S/C6H8S/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3

Properties

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

ValueSource or prediction
-0.43

experimental value

0.23

Eq2: Saturated alcohols and ketones (Test set)