Molecule

ID:119754

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄O₅
Molecular Mass
262.25796
Exact Mass
262.08412355
Charge
0
InChI
InChI=1S/C14H14O5/c1-7-9-4-5-11(18-3)8(2)13(9)19-14(17)10(7)6-12(15)16/h4-5H,6H2,1-3H3,(H,15,16)
InChIKey
DVQDVSRGDWLTFX-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1C)oc(=O)c(c2C)CC(=O)O
Isomeric Smiles
c12oc(=O)c(c(c1ccc(c2C)OC)C)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.6156392
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.07811275
LogD (pH = 7.4)
-1.3791362
Log P
1.9583818
Molar Refractivity
67.9585
Polarizability
26.06834
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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