Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30182040

Structure

InChI Key OAHLLHJOPUWLKW-UHFFFAOYSA-N
Smiles Oc1cccc2c1CC=CC2
InChI
InChI=1S/C10H10O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-3,5,7,11H,4,6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H10O1
Molecular Weight 146.07
AlogP 2.05
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.23
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 27673-48-9
NORMAN SUSDAT
PubChem 97466
ChemSpider 87973.0