10967/180 - QDB Compounds

QsarDB Repository

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:26
Name:2-hydroxybenzoic acid
Description:
Labels:Training
CAS:69-72-7
InChi Code:InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)

Properties

PBT_Index: PBT Index i

ValueSource or prediction
-0.6

experimental value

-0.95

Eq1: Full Model (Training set)

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