Molecule

ID:115964

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄O₅
Molecular Mass
262.25796
Exact Mass
262.08412355
Charge
0
InChI
InChI=1S/C14H14O5/c1-17-11-4-2-3-10(5-11)8-19-14-9-18-12(7-15)6-13(14)16/h2-6,9,15H,7-8H2,1H3
InChIKey
ZEWWEQHOZDQDEV-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)COc1coc(cc1=O)CO
Isomeric Smiles
c1(c(=O)cc(oc1)CO)OCc1cc(OC)ccc1
Calculated Properties
JChem
Acid pKa
14.349785
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
1.1791472
LogD (pH = 7.4)
1.1791471
Log P
1.1791472
Molar Refractivity
71.0927
Polarizability
26.626987
Polar Surface Area
64.99
Rotatable Bonds
5
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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