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:502
Name:(±)-2-Phenyl-2-butanol
Description:InChI code was generated with Jchem for Excel
Labels:Aromatic, alcohols, (other)
CAS:1565-75-9
InChi Code:InChI=1S/C10H14O/c1-3-10(2,11)9-7-5-4-6-8-9/h4-8,11H,3H2,1-2H3

Properties

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

ValueSource or prediction
0.06

experimental value

-0.11

Eq2: Saturated alcohols and ketones (Test set)