Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 7NM7FB925T
EPA CompTox DTXSID50210197

Structure

InChI Key AGPLQTQFIZBOLI-UHFFFAOYSA-N
Smiles C(c1ccccc1)c1ccc(cc1)c1ccccc1
InChI
InChI=1S/C19H16/c1-3-7-16(8-4-1)15-17-11-13-19(14-12-17)18-9-5-2-6-10-18/h1-14H,15H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H16
Molecular Weight 244.13
AlogP 4.94
Number of Rotational Bond 3.0
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 613-42-3
NORMAN SUSDAT
FDA SRS 7NM7FB925T
PubChem 69174
ChemSpider 62389.0