Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 4XS4PNS258
EPA CompTox DTXSID10192001

Structure

InChI Key OVZQVGZERAFSPI-UHFFFAOYSA-N
Smiles O=Cc1cccc2cccnc12
InChI
InChI=1S/C10H7NO/c12-7-9-4-1-3-8-5-2-6-11-10(8)9/h1-7H

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H7N1O1
Molecular Weight 157.05
AlogP 2.05
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 29.96
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 38707-70-9
NORMAN SUSDAT
FDA SRS 4XS4PNS258