Molecule

ID:40018

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆O₅
Molecular Mass
264.27384
Exact Mass
264.09977361
Charge
0
InChI
InChI=1S/C14H16O5/c1-3-18-13(16)11(14(17)19-4-2)12(15)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3
InChIKey
RIQBATDJIKIMBM-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(C(=O)c1ccccc1)C(=O)OCC
Isomeric Smiles
C(C(=O)c1ccccc1)(C(=O)OCC)C(=O)OCC
Calculated Properties
JChem
Acid pKa
5.573248
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.9001663
LogD (pH = 7.4)
0.5158615
Log P
2.1632047
Molar Refractivity
68.132
Polarizability
26.68451
Polar Surface Area
69.67
Rotatable Bonds
8
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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