ACETAMIDE, N,N'-(2-NITRO-1,4-PHENYLENE)BIS-

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII CCN34ZD3GD
EPA CompTox DTXSID6063802

Structure

InChI Key WIBLBSKESAEFTC-UHFFFAOYSA-N
Smiles CC(=O)Nc1cc(c(NC(=O)C)cc1)[N+](=O)[O-]
InChI
InChI=1S/C10H11N3O4/c1-6(14)11-8-3-4-9(12-7(2)15)10(5-8)13(16)17/h3-5H,1-2H3,(H,11,14)(H,12,15)

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H11N3O4
Molecular Weight 237.07
AlogP 2.81
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 108.32
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 5345-53-9
NORMAN SUSDAT
FDA SRS CCN34ZD3GD
PubChem 5154387
ChemSpider 4327473.0
CONTENTS