Molecule

ID:83552

General Information
Structure
MolImage
Molecular Formula
C₂₂H₁₈O₂
Molecular Mass
314.37712
Exact Mass
314.13067982
Charge
0
InChI
InChI=1S/C22H18O2/c23-21(19-11-5-2-6-12-19)16-15-20-13-7-8-14-22(20)24-17-18-9-3-1-4-10-18/h1-16H,17H2
InChIKey
CBDLLBDTLMYFRZ-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)/C=C/c1ccccc1OCc1ccccc1
Isomeric Smiles
O(c1ccccc1/C=C/C(=O)c1ccccc1)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
16.361607
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.457127
LogD (pH = 7.4)
5.457127
Log P
5.457127
Molar Refractivity
97.9528
Polarizability
37.508286
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
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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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