Molecule

ID:54972

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄O₄
Molecular Mass
222.23716
Exact Mass
222.08920893
Charge
0
InChI
InChI=1S/C12H14O4/c1-15-11(13)7-9-3-5-10(6-4-9)8-12(14)16-2/h3-6H,7-8H2,1-2H3
InChIKey
WDAIQYFBXLZOHA-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Cc1ccc(cc1)CC(=O)OC
Isomeric Smiles
c1(ccc(cc1)CC(=O)OC)CC(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5405306
LogD (pH = 7.4)
1.5405306
Log P
1.5405306
Molar Refractivity
58.2114
Polarizability
22.921247
Polar Surface Area
52.6
Rotatable Bonds
6
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
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References
Bioactivity
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