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:474
Name:cis-2-Penten-1-ol
Description:InChI code was generated with Jchem for Excel
Labels:Unsat., aliphatic, alcohol
CAS:1576-95-0
InChi Code:InChI=1S/C5H10O/c1-2-3-4-5-6/h3-4,6H,2,5H2,1H3/b4-3-

Properties

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

ValueSource or prediction
-1.12

experimental value

-1.14

Eq2: Saturated alcohols and ketones (Test set)