Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 3WH6Y2A3A9
EPA CompTox DTXSID20182458

Structure

InChI Key QOCDXWOQEUNOQG-UHFFFAOYSA-N
Smiles Cc1nc2c([se]1)cccc2C
InChI
InChI=1S/C9H9NSe/c1-6-4-3-5-8-9(6)10-7(2)11-8/h3-5H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H9N1Se1
Molecular Weight 210.99
AlogP 1.91
Hydrogen Bond Acceptor 1.0
Polar Surface Area 12.89
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 2818-89-5
NORMAN SUSDAT
FDA SRS 3WH6Y2A3A9
PubChem 76065
ChemSpider 68557.0