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

Structure

InChI Key BEKNOGMQVKBMQN-UHFFFAOYSA-N
Smiles CC1Cc2ccccc2C1=O
InChI
InChI=1S/C10H10O/c1-7-6-8-4-2-3-5-9(8)10(7)11/h2-5,7H,6H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H10O1
Molecular Weight 146.07
AlogP 2.06
Hydrogen Bond Acceptor 1.0
Polar Surface Area 17.07
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 17496-14-9
NORMAN SUSDAT