Molecule

ID:61318

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O₅
Molecular Mass
274.26866
Exact Mass
274.08412355
Charge
0
InChI
InChI=1S/C15H14O5/c1-19-14-4-2-3-5-15(14)20-9-13(18)11-7-6-10(16)8-12(11)17/h2-8,16-17H,9H2,1H3
InChIKey
MXHGJBZYDIITOO-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1OCC(=O)c1ccc(cc1O)O
Isomeric Smiles
c1(c(cc(cc1)O)O)C(=O)COc1c(OC)cccc1
Calculated Properties
JChem
Acid pKa
7.798692
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
2.9308326
LogD (pH = 7.4)
2.788231
Log P
2.932995
Molar Refractivity
72.8479
Polarizability
28.08344
Polar Surface Area
75.99
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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