Keyword(s): Human Metabolites
Molecule Category Free-form
UNII IGH41K1QPK
EPA CompTox DTXSID6063191

Structure

InChI Key YGBXXWTZWLALGR-UHFFFAOYSA-N
Smiles Cc1c(C)c2c(o1)cccc2
InChI
InChI=1S/C10H10O/c1-7-8(2)11-10-6-4-3-5-9(7)10/h3-6H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H10O1
Molecular Weight 146.07
AlogP 3.05
Hydrogen Bond Acceptor 1.0
Polar Surface Area 13.14
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 3782-00-1
NORMAN SUSDAT
FDA SRS IGH41K1QPK
PubChem 2734646
ChemSpider 2016390.0