Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50235249

Structure

InChI Key OWWAUBQOFLVUMS-UHFFFAOYSA-N
Smiles Oc1c2CCNc2ccc1
InChI
InChI=1S/C8H9NO/c10-8-3-1-2-7-6(8)4-5-9-7/h1-3,9-10H,4-5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H9N1O1
Molecular Weight 135.07
AlogP 1.36
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 32.26
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 85926-99-4
NORMAN SUSDAT
PubChem 3021054
ChemSpider 2287781.0