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:64
Name:naphthalene
Description:
Labels:Training
CAS:91-20-3
InChi Code:InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H

Properties

PBT_Index: PBT Index i

ValueSource or prediction
0.46

experimental value

0.92

Eq1: Full Model (Training set)

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