Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key UGZLIZPBSLIKKG-UHFFFAOYSA-N
Smiles Cc1cccc2c1cc(C)c1ccccc21
InChI
InChI=1S/C16H14/c1-11-6-5-9-15-14-8-4-3-7-13(14)12(2)10-16(11)15/h3-10H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H14
Molecular Weight 206.11
AlogP 4.61
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 20291-73-0
NORMAN SUSDAT
PubChem 34454
ChemSpider 31705.0