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:55
Name:2-Decanol
Description:InChI code was generated with Jchem for Excel
Labels:
CAS:1120-06-5
InChi Code:InChI=1S/C10H22O/c1-3-4-5-6-7-8-9-10(2)11/h10-11H,3-9H2,1-2H3

Properties

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

ValueSource or prediction
0.99

experimental value

0.88

Eq2: Saturated alcohols and ketones (Training set)

0.99

QMRF: Saturated alcohols and ketones (Training set)