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:375
Name:sec-Phenethyl alcohol
Description:InChI code was generated with Jchem for Excel
Labels:Phenethyl, alcohol
CAS:98-85-1
InChi Code:InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3

Properties

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

ValueSource or prediction
-0.82

experimental value

-0.9

Eq2: Saturated alcohols and ketones (Test set)