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:158
Name:1,2-benzenediol
Description:
Labels:Training
CAS:120-80-9
InChi Code:InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H

Properties

PBT_Index: PBT Index i

ValueSource or prediction
-0.54

experimental value

-1.12

Eq1: Full Model (Training set)

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