Keyword(s): Human Metabolites
Molecule Category Free-form
UNII QCG4ES2A26
EPA CompTox DTXSID20182594

Structure

InChI Key HCPJEHJGFKWRFM-UHFFFAOYSA-N
Smiles Cc1ccc(N)c(O)c1
InChI
InChI=1S/C7H9NO/c1-5-2-3-6(8)7(9)4-5/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 2835-98-5
NORMAN SUSDAT
FDA SRS QCG4ES2A26
PubChem 76082
ChemSpider 68571.0