Molecule

ID:59759

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄O₅
Molecular Mass
262.25796
Exact Mass
262.08412355
Charge
0
InChI
InChI=1S/C14H14O5/c1-3-9-6-13(15)19-12-7-10(4-5-11(9)12)18-8(2)14(16)17/h4-8H,3H2,1-2H3,(H,16,17)
InChIKey
VBUUPJHPJVEUIA-UHFFFAOYSA-N
Canonic Smiles
CCc1cc(=O)oc2c1ccc(c2)OC(C(=O)O)C
Isomeric Smiles
c12oc(=O)cc(c1ccc(c2)OC(C(=O)O)C)CC
Calculated Properties
JChem
Acid pKa
3.1749127
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.11557573
LogD (pH = 7.4)
-1.0333529
Log P
2.4163992
Molar Refractivity
67.4733
Polarizability
26.139683
Polar Surface Area
72.83
Rotatable Bonds
4
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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