Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20174176

Structure

InChI Key BVKUYBCYSJOQLD-UHFFFAOYSA-N
Smiles Cc1c(O)ccc2c1CCC2
InChI
InChI=1S/C10H12O/c1-7-9-4-2-3-8(9)5-6-10(7)11/h5-6,11H,2-4H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H12O1
Molecular Weight 148.09
AlogP 2.19
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.23
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 20294-38-6
NORMAN SUSDAT
PubChem 88475
ChemSpider 79826.0