10967/115 - QDB Compounds

QsarDB Repository

Piir, G.; Sild, S.; Roncaglioni, A.; Benfenati, E.; Maran, U. QSAR model for the prediction of bio-concentration factor using aqueous solubility and descriptors considering various electronic effects. SAR QSAR Environ. Res. 2010, 21, 7-8, 711-729.

Compound

ID:e303
Name:disulfoton
Description:
Labels:Validation, 2
CAS:298-04-4
InChi Code:InChI=1S/C8H19O2PS3/c1-4-9-11(12,10-5-2)14-8-7-13-6-3/h4-8H2,1-3H3

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
2.60

experimental value

0.8709

Tab2: Multilinear model for diverse chemicals (External validation set 2)

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