Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 8ETK71TH0H
EPA CompTox DTXSID4049400

Structure

InChI Key BMVWCPGVLSILMU-UHFFFAOYSA-N
Smiles O=C1c2ccccc2CCc2ccccc12
InChI
InChI=1S/C15H12O/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-8H,9-10H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H12O1
Molecular Weight 208.09
AlogP 3.02
Hydrogen Bond Acceptor 1.0
Polar Surface Area 17.07
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 1210-35-1
NORMAN SUSDAT
FDA SRS 8ETK71TH0H
PubChem 14589
ChemSpider 13927.0