Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 58GQ20G9W6
EPA CompTox DTXSID00181565

Structure

InChI Key FZKCAHQKNJXICB-UHFFFAOYSA-N
Smiles o1cc2ccccc2n1
InChI
InChI=1S/C7H5NO/c1-2-4-7-6(3-1)5-9-8-7/h1-5H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H5N1O1
Molecular Weight 119.04
AlogP 1.83
Hydrogen Bond Acceptor 2.0
Polar Surface Area 26.03
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 271-58-9
NORMAN SUSDAT
FDA SRS 58GQ20G9W6
PubChem 67498
ChemSpider 60822.0