Molecule

ID:84666

General Information
Structure
MolImage
Molecular Formula
C₇H₈O₂
Molecular Mass
124.13722
Exact Mass
124.0524295
Charge
0
InChI
InChI=1S/C7H8O2/c1-5-3-7(8)4-6(2)9-5/h3-4H,1-2H3
InChIKey
VSYFZULSKMFUJJ-UHFFFAOYSA-N
Canonic Smiles
Cc1oc(C)cc(=O)c1
Isomeric Smiles
o1c(cc(=O)cc1C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.99532497
LogD (pH = 7.4)
0.99532497
Log P
0.99532497
Molar Refractivity
37.5737
Polarizability
13.178455
Polar Surface Area
26.3
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation