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:105
Name:2-propen-1-ol
Description:
Labels:Training
CAS:107-18-6
InChi Code:InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2

Properties

PBT_Index: PBT Index i

ValueSource or prediction
-0.89

experimental value

-1.75

Eq1: Full Model (Training set)

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