Molecule

ID:59664

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₀O₄
Molecular Mass
266.2482
Exact Mass
266.0579088
Charge
0
InChI
InChI=1S/C16H10O4/c17-12-7-6-11-8-13(16(19)20-14(11)9-12)15(18)10-4-2-1-3-5-10/h1-9,17H
InChIKey
UWQPLMCCTUJLSP-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1)oc(=O)c(c2)C(=O)c1ccccc1
Isomeric Smiles
c1(c(=O)oc2c(c1)ccc(c2)O)C(=O)c1ccccc1
Calculated Properties
JChem
Acid pKa
7.310641
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.814654
LogD (pH = 7.4)
2.4766626
Log P
2.8212764
Molar Refractivity
73.4209
Polarizability
27.789429
Polar Surface Area
63.6
Rotatable Bonds
2
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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