Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 7BQ3RTX32X
EPA CompTox DTXSID7065095

Structure

InChI Key OMVFXCQLSCPJNR-UHFFFAOYSA-N
Smiles OC=1C(=CC(N)=CC1C)C
InChI
InChI=1/C8H11NO/c1-5-3-7(9)4-6(2)8(5)10/h3-4,10H,9H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H11NO
Molecular Weight 137.08
AlogP 1.59
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 46.25
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 10486-48-3
NORMAN SUSDAT
FDA SRS 7BQ3RTX32X
PubChem 82668