Molecule

ID:120424

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)12(14(17)19-4-2)9-10-5-7-11(15)8-6-10/h5-9,15H,3-4H2,1-2H3
InChIKey
UEOXKWFFLGYVKH-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(=Cc1ccc(cc1)O)C(=O)OCC
Isomeric Smiles
C(=Cc1ccc(cc1)O)(C(=O)OCC)C(=O)OCC
Calculated Properties
JChem
Acid pKa
9.240892
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.8917563
LogD (pH = 7.4)
2.8856528
Log P
2.8918347
Molar Refractivity
70.1505
Polarizability
27.051605
Polar Surface Area
72.83
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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