Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40174178

Structure

InChI Key IAQJQARSMHTBDV-UHFFFAOYSA-N
Smiles Cc1c2CCCc2cc(O)c1
InChI
InChI=1S/C10H12O/c1-7-5-9(11)6-8-3-2-4-10(7)8/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 20294-40-0
NORMAN SUSDAT
PubChem 88477
ChemSpider 79828.0