Keyword(s): Human Metabolites
Molecule Category Free-form
UNII VZF5S5L4YY
EPA CompTox DTXSID00182875

Structure

InChI Key PFXVPEGRXODMIQ-UHFFFAOYSA-N
Smiles Cc1ccc(C)c2c1occ2
InChI
InChI=1S/C10H10O/c1-7-3-4-8(2)10-9(7)5-6-11-10/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 28715-26-6
NORMAN SUSDAT
FDA SRS VZF5S5L4YY
PubChem 33109
ChemSpider 30605.0