Molecule

ID:94714

General Information
Structure
MolImage
Molecular Formula
C₂₆H₁₈F₄O₂
Molecular Mass
438.4135328
Exact Mass
438.1242927
Charge
0
InChI
InChI=1S/C26H18F4O2/c27-25(28,19-11-15-23(16-12-19)31-21-7-3-1-4-8-21)26(29,30)20-13-17-24(18-14-20)32-22-9-5-2-6-10-22/h1-18H
InChIKey
VCQCRHYEQAMPCL-UHFFFAOYSA-N
Canonic Smiles
FC(C(c1ccc(cc1)Oc1ccccc1)(F)F)(c1ccc(cc1)Oc1ccccc1)F
Isomeric Smiles
FC(c1ccc(cc1)Oc1ccccc1)(C(c1ccc(cc1)Oc1ccccc1)(F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
8.022331
LogD (pH = 7.4)
8.022331
Log P
8.022331
Molar Refractivity
113.0118
Polarizability
43.041462
Polar Surface Area
18.46
Rotatable Bonds
7
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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