Molecule

ID:57376

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂O₆
Molecular Mass
276.24148
Exact Mass
276.0633881
Charge
0
InChI
InChI=1S/C14H12O6/c1-7-4-14(17)20-11-6-13(19-9(3)16)12(5-10(7)11)18-8(2)15/h4-6H,1-3H3
InChIKey
JMRACYBIVVGICX-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Oc1cc2oc(=O)cc(c2cc1OC(=O)C)C
Isomeric Smiles
c1(c(cc2c(c1)c(cc(=O)o2)C)OC(=O)C)OC(=O)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.2972761
LogD (pH = 7.4)
1.2972761
Log P
1.2972761
Molar Refractivity
68.0954
Polarizability
26.48509
Polar Surface Area
78.9
Rotatable Bonds
4
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
References
Bioactivity
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