Molecule

ID:69191

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄O₆
Molecular Mass
254.23596
Exact Mass
254.07903817
Charge
0
InChI
InChI=1S/C12H14O6/c1-15-8-6-4-5-7-9(8)18-10(11(13)16-2)12(14)17-3/h4-7,10H,1-3H3
InChIKey
SBUXKADXTZOBJV-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(C(=O)OC)Oc1ccccc1OC
Isomeric Smiles
C(=O)(C(C(=O)OC)Oc1c(cccc1)OC)OC
Calculated Properties
JChem
Acid pKa
16.178421
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.4219928
LogD (pH = 7.4)
1.4219928
Log P
1.4219928
Molar Refractivity
60.5873
Polarizability
24.364815
Polar Surface Area
71.06
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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