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:t291
Name:4-methylphenylene-1,3-diamine
Description:
Labels:Training
CAS:95-80-7
InChi Code:InChI=1S/C7H10N2/c1-5-2-3-6(8)4-7(5)9/h2-4H,8-9H2,1H3

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
1.7

experimental value

0.5035

Tab2: Multilinear model for diverse chemicals (Training set)

0.5035

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