Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 5JR9GYT544
EPA CompTox DTXSID80174177

Structure

InChI Key CDNDNUZDPWTWQK-UHFFFAOYSA-N
Smiles Cc1cc2c(CCC2)cc1O
InChI
InChI=1S/C10H12O/c1-7-5-8-3-2-4-9(8)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 20294-39-7
NORMAN SUSDAT
FDA SRS 5JR9GYT544
PubChem 88476
ChemSpider 79827.0