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:t132
Name:2-naphthol-3,6-disulfonic acid
Description:
Labels:Training
CAS:148-75-4
InChi Code:InChI=1S/C10H8O7S2/c11-9-4-6-1-2-8(18(12,13)14)3-7(6)5-10(9)19(15,16)17/h1-5,11H,(H,12,13,14)(H,15,16,17)

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
0.3

experimental value

0.4020

Tab2: Multilinear model for diverse chemicals (Training set)

0.4020

Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set)

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