Molecule

ID:103223

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₄O₄
Molecular Mass
318.32276
Exact Mass
318.08920893
Charge
0
InChI
InChI=1S/C20H14O4/c21-19(23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)24-16-11-5-2-6-12-16/h1-14H
InChIKey
DWNAQMUDCDVSLT-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1C(=O)Oc1ccccc1)Oc1ccccc1
Isomeric Smiles
O=C(Oc1ccccc1)c1ccccc1C(=O)Oc1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
5.30
LogD (pH = 5.5)
5.30
Log P
5.30
Rotatable Bonds
6
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
false
Acid pKa
-6.78
Polar Surface Area
52.60
Polarizability
33.42
Molar Refractivity
89.66
LOG S
-5.94
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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