Molecule

ID:76483

General Information
Structure
MolImage
Molecular Formula
C₂₆H₁₈O₂
Molecular Mass
362.41992
Exact Mass
362.13067982
Charge
0
InChI
InChI=1S/C26H18O2/c1-3-7-23(8-4-1)27-25-17-13-21(14-18-25)11-12-22-15-19-26(20-16-22)28-24-9-5-2-6-10-24/h1-10,13-20H
InChIKey
ZQKSNWIXFGRPEJ-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)Oc1ccc(cc1)C#Cc1ccc(cc1)Oc1ccccc1
Isomeric Smiles
O(c1ccc(cc1)C#Cc1ccc(cc1)Oc1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
7.0948896
LogD (pH = 7.4)
7.0948896
Log P
7.0948896
Molar Refractivity
106.3762
Polarizability
43.23397
Polar Surface Area
18.46
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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