Molecule

ID:83278

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₀O₄
Molecular Mass
360.4025
Exact Mass
360.13615912
Charge
0
InChI
InChI=1S/C23H20O4/c1-26-19-10-7-17(8-11-19)9-14-22(24)21-13-12-20(15-23(21)25)27-16-18-5-3-2-4-6-18/h2-15,25H,16H2,1H3
InChIKey
XDWGBYCMKJVFDS-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)/C=C/C(=O)c1ccc(cc1O)OCc1ccccc1
Isomeric Smiles
O=C(c1c(cc(cc1)OCc1ccccc1)O)/C=C/c1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
8.093537
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
5.644793
LogD (pH = 7.4)
5.56647
Log P
5.6458907
Molar Refractivity
106.3969
Polarizability
40.568523
Polar Surface Area
55.76
Rotatable Bonds
7
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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