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:p321
Name:n,n'-diphenylguanidine
Description:
Labels:Validation, 1
CAS:102-06-7
InChi Code:InChI=1S/C13H13N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H3,14,15,16)

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
1.3

experimental value

1.4571

Tab2: Multilinear model for diverse chemicals (External validation set 1)

1.4571

Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 1)

Links to External Resources