Keyword(s): Human Metabolites
Molecule Category Free-form
UNII LKQ2758W1E

Structure

InChI Key JFDMLXYWGLECEY-UHFFFAOYSA-N
Smiles C1OC1Cc2ccccc2
InChI
InChI=1S/C9H10O/c1-2-4-8(5-3-1)6-9-7-10-9/h1-5,9H,6-7H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H10O1
Molecular Weight 134.07
AlogP 1.63
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 12.53
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 4436-24-2
NORMAN SUSDAT
FDA SRS LKQ2758W1E