Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 9Z94H6F15T
EPA CompTox DTXSID0051732

Structure

InChI Key PEHSSTUGJUBZBI-UHFFFAOYSA-N
Smiles Oc1ccc2CCCc2c1
InChI
InChI=1S/C9H10O/c10-9-5-4-7-2-1-3-8(7)6-9/h4-6,10H,1-3H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H10O1
Molecular Weight 134.07
AlogP 1.88
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.23
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 1470-94-6
NORMAN SUSDAT
FDA SRS 9Z94H6F15T
PubChem 15118
ChemSpider 14390.0