Molecule

ID:26148

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄O₄
Molecular Mass
222.23716
Exact Mass
222.08920893
Charge
0
InChI
InChI=1S/C12H14O4/c1-3-12(14)16-10-6-5-9(8-13)7-11(10)15-4-2/h5-8H,3-4H2,1-2H3
InChIKey
MYFUIYHUKGKRTC-UHFFFAOYSA-N
Canonic Smiles
CCOc1cc(C=O)ccc1OC(=O)CC
Isomeric Smiles
c1(OC(=O)CC)c(cc(C=O)cc1)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.1926818
LogD (pH = 7.4)
2.1926818
Log P
2.1926818
Molar Refractivity
59.6131
Polarizability
22.871725
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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