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:71
Name:7-Tridecanone
Description:InChI code was generated with Jchem for Excel
Labels:
CAS:462-18-0
InChi Code:InChI=1S/C13H26O/c1-3-5-7-9-11-13(14)12-10-8-6-4-2/h3-12H2,1-2H3

Properties

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

ValueSource or prediction
1.52

experimental value

1.64

Eq2: Saturated alcohols and ketones (Training set)

1.79

QMRF: Saturated alcohols and ketones (Training set)

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