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:497
Name:5-Phenyl-1-pentanol
Description:InChI code was generated with Jchem for Excel
Labels:Aromatic, alcohols, (other)
CAS:10521-91-2
InChi Code:InChI=1S/C11H16O/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8,12H,2,5-6,9-10H2

Properties

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

ValueSource or prediction
0.53

experimental value

0.36

Eq2: Saturated alcohols and ketones (Test set)

Links to External Resources