Keyword(s): Human Metabolites
Molecule Category Free-form
UNII EX78G3A4YL
EPA CompTox DTXSID80201018

Structure

InChI Key RWOUETIZGZHNKY-UHFFFAOYSA-N
Smiles Cc1c2CCc3c(nc4ccccc4c3C)c2nc2ccccc12
InChI
InChI=1S/C22H18N2/c1-13-15-7-3-5-9-19(15)23-21-17(13)11-12-18-14(2)16-8-4-6-10-20(16)24-22(18)21/h3-10H,11-12H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H18N2
Molecular Weight 310.15
AlogP 5.17
Hydrogen Bond Acceptor 2.0
Polar Surface Area 25.78
Heavy Atoms 24.0

Cross References

Resources Reference
CAS NUMBER 5298-71-5
NORMAN SUSDAT
FDA SRS EX78G3A4YL
PubChem 165304
ChemSpider 144916.0