Molecule

ID:90091

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂O₆
Molecular Mass
252.22008
Exact Mass
252.0633881
Charge
0
InChI
InChI=1S/C12H12O6/c1-7(13)17-10-4-9(12(15)16-3)5-11(6-10)18-8(2)14/h4-6H,1-3H3
InChIKey
XZEYNOHQYSXYEQ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(OC(=O)C)cc(c1)OC(=O)C
Isomeric Smiles
O=C(c1cc(cc(c1)OC(=O)C)OC(=O)C)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.1912447
LogD (pH = 7.4)
1.1912447
Log P
1.1912447
Molar Refractivity
60.3481
Polarizability
23.72125
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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