Molecule

ID:26152

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄O₄
Molecular Mass
270.27996
Exact Mass
270.08920893
Charge
0
InChI
InChI=1S/C16H14O4/c1-19-16(18)14-6-2-13(3-7-14)11-20-15-8-4-12(10-17)5-9-15/h2-10H,11H2,1H3
InChIKey
QCMBUFDXULESGG-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)COc1ccc(cc1)C=O
Isomeric Smiles
C(=O)(c1ccc(COc2ccc(C=O)cc2)cc1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.256027
LogD (pH = 7.4)
3.256027
Log P
3.256027
Molar Refractivity
75.7431
Polarizability
28.74743
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
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Molecule Details
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References
Bioactivity
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