Keyword(s): Human Metabolites
Molecule Category Free-form
UNII AAQ44BL4CU
EPA CompTox DTXSID70184947

Structure

InChI Key UBKPLLYABUUFCE-UHFFFAOYSA-N
Smiles Cc1c(N)ccc(O)c1C
InChI
InChI=1S/C8H11NO/c1-5-6(2)8(10)4-3-7(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 3096-69-3
NORMAN SUSDAT
FDA SRS AAQ44BL4CU
PubChem 76542
ChemSpider 69009.0