Molecule

ID:40312

General Information
Structure
MolImage
Molecular Formula
C₂₂H₁₆O₄
Molecular Mass
344.36004
Exact Mass
344.10485899
Charge
0
InChI
InChI=1S/C22H16O4/c1-25-15-6-4-5-14(11-15)9-10-21-19(13-23)18-12-20(24)16-7-2-3-8-17(16)22(18)26-21/h2-13,24H,1H3/b10-9+
InChIKey
BCTQOSLNIQYSDK-MDZDMXLPSA-N
Canonic Smiles
O=Cc1c(/C=C/c2cccc(c2)OC)oc2c1cc(O)c1c2cccc1
Isomeric Smiles
c12c(c(c(o1)/C=C/c1cc(OC)ccc1)C=O)cc(c1c2cccc1)O
Calculated Properties
JChem
Acid pKa
8.534613
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.632556
LogD (pH = 7.4)
4.602432
Log P
4.632954
Molar Refractivity
101.7097
Polarizability
40.49065
Polar Surface Area
59.67
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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