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:11
Name:acetamide
Description:
Labels:Training
CAS:60-35-5
InChi Code:InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)

Properties

PBT_Index: PBT Index i

ValueSource or prediction
-2.5

experimental value

-2.17

Eq1: Full Model (Training set)

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