Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 12R07I1K8C
EPA CompTox DTXSID2049262

Structure

InChI Key QGNGOGOOPUYKMC-UHFFFAOYSA-N
Smiles Cc1cc(O)ccc1N
InChI
InChI=1S/C7H9NO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,8H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H9N1O1
Molecular Weight 123.07
AlogP 1.28
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 46.25
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 2835-99-6
NORMAN SUSDAT
FDA SRS 12R07I1K8C
PubChem 17819
ChemSpider 16838.0