2-METHYLQUINOXALINE 1,4-DIOXIDE

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII E2SLJ5V74N
EPA CompTox DTXSID10216615

Structure

InChI Key PZUHHXFIMAEXGO-UHFFFAOYSA-N
Smiles Cc1c[n+](=O)c2ccccc2[n+]1=O
InChI
InChI=1S/C9H8N2O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3/q+2

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H8N2O2
Molecular Weight 176.06
AlogP 2.38
Hydrogen Bond Acceptor 2.0
Polar Surface Area 40.16
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 6639-86-7
NORMAN SUSDAT
FDA SRS E2SLJ5V74N
PubChem 81144
ChemSpider 73210.0
CONTENTS