Molecule

ID:25850

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂O₄
Molecular Mass
244.24268
Exact Mass
244.07355886
Charge
0
InChI
InChI=1S/C14H12O4/c1-2-17-14(16)11-5-3-10(4-6-11)13-8-7-12(9-15)18-13/h3-9H,2H2,1H3
InChIKey
UWLKFGFYBKJASW-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(cc1)c1ccc(o1)C=O
Isomeric Smiles
c1(oc(cc1)C=O)c1ccc(C(=O)OCC)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6735063
LogD (pH = 7.4)
2.6735063
Log P
2.6735063
Molar Refractivity
66.8205
Polarizability
26.306372
Polar Surface Area
56.51
Rotatable Bonds
5
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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