Molecule

ID:59674

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄O₅
Molecular Mass
262.25796
Exact Mass
262.08412355
Charge
0
InChI
InChI=1S/C14H14O5/c1-7-6-12(15)19-13-8(2)11(5-4-10(7)13)18-9(3)14(16)17/h4-6,9H,1-3H3,(H,16,17)
InChIKey
ZPMUQDKHXOEAMF-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(Oc1ccc2c(c1C)oc(=O)cc2C)C
Isomeric Smiles
c12c(c(cc(=O)o2)C)ccc(c1C)OC(C(=O)O)C
Calculated Properties
JChem
Acid pKa
3.4017205
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.39932334
LogD (pH = 7.4)
-0.9172283
Log P
2.485252
Molar Refractivity
67.9135
Polarizability
26.068008
Polar Surface Area
72.83
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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