Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 006FKQ96T3
EPA CompTox DTXSID1026792

Structure

InChI Key JJYPMNFTHPTTDI-UHFFFAOYSA-N
Smiles Cc1cccc(N)c1
InChI
InChI=1S/C7H9N/c1-6-3-2-4-7(8)5-6/h2-5H,8H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H9N1
Molecular Weight 107.07
AlogP 1.58
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 26.02
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 108-44-1
NORMAN SUSDAT
FDA SRS 006FKQ96T3
PubChem 7934
ChemSpider 13860692.0