Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID1069081

Structure

InChI Key XNGBCVRGPNWAGY-UHFFFAOYSA-N
Smiles Oc1c2ccccc2c(O)c2c1CC=CC2
InChI
InChI=1S/C14H12O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-6,15-16H,7-8H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H12O2
Molecular Weight 212.08
AlogP 2.91
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 40.46
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 56136-13-1
NORMAN SUSDAT
PubChem 92020
ChemSpider 83083.0