Keyword(s): Human Metabolites
Molecule Category Free-form
UNII O1B5KJ235I
EPA CompTox DTXSID8020410

Structure

InChI Key NFBOHOGPQUYFRF-UHFFFAOYSA-N
Smiles O1c2c(Oc3c1cccc3)cccc2
InChI
InChI=1S/C12H8O2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H8O2
Molecular Weight 184.05
AlogP 3.58
Hydrogen Bond Acceptor 2.0
Polar Surface Area 18.46
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 262-12-4
NORMAN SUSDAT
FDA SRS O1B5KJ235I
PubChem 9216
ChemSpider 8861.0