Molecule

ID:79907

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂O₄
Molecular Mass
244.24268
Exact Mass
244.07355886
Charge
0
InChI
InChI=1S/C14H12O4/c15-10-6-7-12(13(16)8-10)14(17)9-18-11-4-2-1-3-5-11/h1-8,15-16H,9H2
InChIKey
TZMXCFNRWDJQJM-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(c(c1)O)C(=O)COc1ccccc1
Isomeric Smiles
O=C(c1ccc(cc1O)O)COc1ccccc1
Calculated Properties
JChem
Acid pKa
7.7987
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
3.0885038
LogD (pH = 7.4)
2.9459045
Log P
3.0906663
Molar Refractivity
66.3847
Polarizability
25.548002
Polar Surface Area
66.76
Rotatable Bonds
4
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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