Molecule

ID:136272

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
C(=O)c1ccc(cc1)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
14.741805
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
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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