10967/76 - QDB Compounds

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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:143
Name:4-Isopropylbromobenzene
Description:InChI code was generated with Jchem for Excel
Labels:Benzene, derivatives
CAS:586-61-8
InChi Code:InChI=1S/C9H11Br/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,1-2H3

Properties

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

ValueSource or prediction
0.85

experimental value

1.38

Eq2: Saturated alcohols and ketones (Test set)

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