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:t281
Name:tris(2-hydroxypropyl)amine
Description:
Labels:Training
CAS:122-20-3
InChi Code:InChI=1S/C9H21NO3/c1-7(11)4-10(5-8(2)12)6-9(3)13/h7-9,11-13H,4-6H2,1-3H3

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
-0.24

experimental value

0.0652

Tab2: Multilinear model for diverse chemicals (Training set)

0.0652

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

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