10967/177 - QDB Compounds

QsarDB Repository

Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.

Compound

ID:326
Name:{[dimethyl(phenyl)silyl]oxy}dimethylphenylsilane
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 1,3-Diphenyltetramethyldisiloxane
Labels:
CAS:56-33-7
InChi Code:InChI=1S/C16H22OSi2/c1-18(2,15-11-7-5-8-12-15)17-19(3,4)16-13-9-6-10-14-16/h5-14H,1-4H3

Properties

M4.logRBA: Estrogen receptor relative binding affinity as log(RBA)

ValueSource or prediction
-3.16

experimental value

-4.3166

Tab2.Model_4: EDC estrogen receptor binding (Training set)