Keyword(s): Human Metabolites
Molecule Category Free-form
UNII OV5R1AZU4N
EPA CompTox DTXSID8047892

Structure

InChI Key MILSYCKGLDDVLM-UHFFFAOYSA-N
Smiles CC(C)(c1ccccc1)c1ccccc1
InChI
InChI=1S/C15H16/c1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H16
Molecular Weight 196.13
AlogP 4.01
Number of Rotational Bond 2.0
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 778-22-3
NORMAN SUSDAT
FDA SRS OV5R1AZU4N
PubChem 13065
ChemSpider 12521.0