Keyword(s): Human Metabolites
Molecule Category Free-form
UNII P25HC23VH6
EPA CompTox DTXSID2052574

Structure

InChI Key BOKGTLAJQHTOKE-UHFFFAOYSA-N
Smiles Oc1cccc2c(O)cccc12
InChI
InChI=1S/C10H8O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-6,11-12H

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H8O2
Molecular Weight 160.05
AlogP 2.25
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 40.46
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 83-56-7
NORMAN SUSDAT
FDA SRS P25HC23VH6
PubChem 6749
ChemSpider 6492.0