Molecule

ID:135955

General Information
Structure
MolImage
Molecular Formula
C₈H₈O₂
Molecular Mass
136.14792
Exact Mass
136.0524295
Charge
0
InChI
InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3
InChIKey
ZRSNZINYAWTAHE-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C=O
Isomeric Smiles
c1cc(ccc1C=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5280769
LogD (pH = 7.4)
1.5280769
Log P
1.5280769
Molar Refractivity
39.1052
Polarizability
14.743003
Polar Surface Area
26.3
Rotatable Bonds
2
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