Molecule

ID:82929

General Information
Structure
MolImage
Molecular Formula
C₂₄H₁₈O₂
Molecular Mass
338.39852
Exact Mass
338.13067982
Charge
0
InChI
InChI=1S/C24H18O2/c1-26-23-16-11-21(12-17-23)13-18-24(25)22-14-9-20(10-15-22)8-7-19-5-3-2-4-6-19/h2-6,9-18H,1H3
InChIKey
RKPKPEGSYGZHKY-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)/C=C/C(=O)c1ccc(cc1)C#Cc1ccccc1
Isomeric Smiles
O=C(c1ccc(cc1)C#Cc1ccccc1)/C=C/c1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
17.147238
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.8537235
LogD (pH = 7.4)
5.8537235
Log P
5.8537235
Molar Refractivity
101.1768
Polarizability
40.074184
Polar Surface Area
26.3
Rotatable Bonds
6
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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