Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID70193539

Structure

InChI Key PQPVYEDTTQIKIA-UHFFFAOYSA-N
Smiles Cc1c(C)c2c(Oc3c(C2)cccc3)cc1
InChI
InChI=1S/C15H14O/c1-10-7-8-15-13(11(10)2)9-12-5-3-4-6-14(12)16-15/h3-8H,9H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H14O1
Molecular Weight 210.1
AlogP 4.0
Hydrogen Bond Acceptor 1.0
Polar Surface Area 9.23
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 40522-91-6
NORMAN SUSDAT
PubChem 3016191
ChemSpider 2284183.0