Keyword(s): Human Metabolites
Molecule Category Free-form
UNII OW17OD04B8
EPA CompTox DTXSID4066466

Structure

InChI Key PDVDINPEWGXOHX-UHFFFAOYSA-N
Smiles Cc1nc2c(o1)cc(C)c(C)c2
InChI
InChI=1S/C10H11NO/c1-6-4-9-10(5-7(6)2)12-8(3)11-9/h4-5H,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H11N1O1
Molecular Weight 161.08
AlogP 2.75
Hydrogen Bond Acceptor 2.0
Polar Surface Area 26.03
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 19219-98-8
NORMAN SUSDAT
FDA SRS OW17OD04B8
PubChem 87965
ChemSpider 79360.0