Molecule

ID:85702

General Information
Structure
Molecular Formula
C₁₆H₁₄O₄
Molecular Mass
270.27996
Exact Mass
270.08920893
Charge
0
InChI
InChI=1S/C16H14O4/c17-15(18)14(13-9-5-2-6-10-13)16(19)20-11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,17,18)
InChIKey
QSBAHMROFICXDC-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(c1ccccc1)C(=O)OCc1ccccc1
Isomeric Smiles
O(C(=O)C(c1ccccc1)C(=O)O)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
4.052842
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.7572207
LogD (pH = 7.4)
0.08805913
Log P
3.2160401
Molar Refractivity
73.039
Polarizability
28.558989
Polar Surface Area
63.6
Rotatable Bonds
6
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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