Molecule

ID:86152

General Information
Structure
Molecular Formula
C₂₂H₁₈O₂
Molecular Mass
314.37712
Exact Mass
314.13067982
Charge
0
InChI
InChI=1S/C22H18O2/c1-24-21-14-13-18-15-20(12-11-19(18)16-21)22(23)10-6-5-9-17-7-3-2-4-8-17/h2-16H,1H3
InChIKey
FKVBUQOJLOPDAX-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)ccc(c2)C(=O)/C=C/C=C/c1ccccc1
Isomeric Smiles
O=C(c1ccc2cc(ccc2c1)OC)/C=C/C=C/c1ccccc1
Calculated Properties
JChem
Acid pKa
17.135225
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.2493463
LogD (pH = 7.4)
5.2493463
Log P
5.2493463
Molar Refractivity
100.109
Polarizability
38.935493
Polar Surface Area
26.3
Rotatable Bonds
5
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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