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:11
Name:1-Propanol
Description:InChI code was generated with Jchem for Excel
Labels:
CAS:71-23-8
InChi Code:InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3

Properties

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

ValueSource or prediction
-1.75

experimental value

-1.78

Eq1: Saturated alcohols and ketones (Training set)

-1.82

Eq2: Saturated alcohols and ketones (Training set)

-1.78

QMRF: Saturated alcohols and ketones (Training set)

Links to External Resources