Molecule

ID:83559

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₀O₃
Molecular Mass
344.4031
Exact Mass
344.1412445
Charge
0
InChI
InChI=1S/C23H20O3/c1-25-20-14-11-18(12-15-20)13-16-22(24)21-9-5-6-10-23(21)26-17-19-7-3-2-4-8-19/h2-16H,17H2,1H3
InChIKey
CWHUJEIGYHNQKQ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)/C=C/C(=O)c1ccccc1OCc1ccccc1
Isomeric Smiles
O(c1ccccc1C(=O)/C=C/c1ccc(cc1)OC)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
16.592415
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.299456
LogD (pH = 7.4)
5.299456
Log P
5.299456
Molar Refractivity
104.416
Polarizability
39.99059
Polar Surface Area
35.53
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
No Data Available
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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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