Keyword(s): Human Metabolites
Molecule Category Free-form
UNII ITV7RA4Y9P
EPA CompTox DTXSID4073887

Structure

InChI Key HJCUTNIGJHJGCF-UHFFFAOYSA-N
Smiles C1c2ccccc2Nc2c1cccc2
InChI
InChI=1S/C13H11N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-8,14H,9H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H11N1
Molecular Weight 181.09
AlogP 3.33
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 12.03
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 92-81-9
NORMAN SUSDAT
FDA SRS ITV7RA4Y9P
PubChem 7106
ChemSpider 6839.0