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

Structure

InChI Key SEKAHXWZBXZWDA-UHFFFAOYSA-N
Smiles O=CC=CC12CCC(c3ccccc13)c1ccccc21
InChI
InChI=1S/C19H16O/c20-13-5-11-19-12-10-14(15-6-1-3-8-17(15)19)16-7-2-4-9-18(16)19/h1-9,11,13-14H,10,12H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H16O1
Molecular Weight 260.12
AlogP 3.97
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 17.07
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 38849-09-1
NORMAN SUSDAT
PubChem 57349629
ChemSpider 27524619.0