Molecule

ID:52200

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂O₆
Molecular Mass
252.22008
Exact Mass
252.0633881
Charge
0
InChI
InChI=1S/C12H12O6/c1-7(13)16-10-4-11(17-8(2)14)6-12(5-10)18-9(3)15/h4-6H,1-3H3
InChIKey
CLWKAMVDWLTMKD-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Oc1cc(OC(=O)C)cc(c1)OC(=O)C
Isomeric Smiles
c1(cc(cc(c1)OC(=O)C)OC(=O)C)OC(=O)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.79502875
LogD (pH = 7.4)
0.79502875
Log P
0.79502875
Molar Refractivity
59.4552
Polarizability
23.728098
Polar Surface Area
78.9
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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