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:130
Name:1-Bromo-3-phenylpropane
Description:InChI code was generated with Jchem for Excel
Labels:Benzene, derivatives
CAS:637-59-2
InChi Code:InChI=1S/C9H11Br/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2

Properties

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

ValueSource or prediction
0.69

experimental value

0.89

Eq2: Saturated alcohols and ketones (Test set)

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