Keyword(s): Human Metabolites
Molecule Category Free-form
UNII SJ9ZA7F8TG
EPA CompTox DTXSID60191781

Structure

InChI Key OYUKRQOCPFZNHR-UHFFFAOYSA-N
Smiles Cc1ccnc2c(O)cccc12
InChI
InChI=1S/C10H9NO/c1-7-5-6-11-10-8(7)3-2-4-9(10)12/h2-6,12H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H9N1O1
Molecular Weight 159.07
AlogP 2.25
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 33.12
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 3846-73-9
NORMAN SUSDAT
FDA SRS SJ9ZA7F8TG
PubChem 345169
ChemSpider 306115.0