Keyword(s): Human Metabolites
Molecule Category Free-form
UNII RF4R93709T
EPA CompTox DTXSID30184948

Structure

InChI Key JSWVCUXQICMATE-UHFFFAOYSA-N
Smiles Cc1cc(N)c(C)cc1O
InChI
InChI=1S/C8H11NO/c1-5-4-8(10)6(2)3-7(5)9/h3-4,10H,9H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H11N1O1
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 3096-71-7
NORMAN SUSDAT
FDA SRS RF4R93709T
PubChem 76544
ChemSpider 69011.0