10967/180 - QDB Compounds

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Papa, E.; Gramatica, P. QSPR as a support for the EU REACH regulation and rational design of environmentally safer chemicals: PBT identification from molecular structure. Green Chem. 2010, 12, 836-843.

Compound

ID:22
Name:2-propanol
Description:
Labels:Training
CAS:67-63-0
InChi Code:InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3

Properties

PBT_Index: PBT Index i

ValueSource or prediction
-3.08

experimental value

-1.98

Eq1: Full Model (Training set)

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