Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10206354

Structure

InChI Key LVBDYVLCOBUBNZ-UHFFFAOYSA-N
Smiles O=C1CCCc2c1c1cc3ccccc3cc1cc2
InChI
InChI=1S/C18H14O/c19-17-7-3-6-12-8-9-15-10-13-4-1-2-5-14(13)11-16(15)18(12)17/h1-2,4-5,8-11H,3,6-7H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H14O1
Molecular Weight 246.1
AlogP 4.51
Hydrogen Bond Acceptor 1.0
Polar Surface Area 17.07
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 57652-74-1
NORMAN SUSDAT
PubChem 618826
ChemSpider 537809.0