Molecule

ID:26142

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄O₄
Molecular Mass
270.27996
Exact Mass
270.08920893
Charge
0
InChI
InChI=1S/C16H14O4/c1-2-19-15-10-12(11-17)8-9-14(15)20-16(18)13-6-4-3-5-7-13/h3-11H,2H2,1H3
InChIKey
MYURJQJYHBBLDS-UHFFFAOYSA-N
Canonic Smiles
CCOc1cc(C=O)ccc1OC(=O)c1ccccc1
Isomeric Smiles
C(=O)(Oc1c(cc(C=O)cc1)OCC)c1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.5463202
LogD (pH = 7.4)
3.5463202
Log P
3.5463202
Molar Refractivity
75.6567
Polarizability
28.733248
Polar Surface Area
52.6
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
No Data Available
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Molecule Details
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References
Bioactivity
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