Molecule

ID:127992

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₉F₆NO
Molecular Mass
403.3613792
Exact Mass
403.13708355
Charge
0
InChI
InChI=1S/C20H19F6NO/c21-19(22,23)15-9-13(10-16(11-15)20(24,25)26)12-28-17-7-4-8-27-18(17)14-5-2-1-3-6-14/h1-3,5-6,9-11,17-18,27H,4,7-8,12H2
InChIKey
FCDRFVCGMLUYPG-UHFFFAOYSA-N
Canonic Smiles
FC(c1cc(COC2CCCNC2c2ccccc2)cc(c1)C(F)(F)F)(F)F
Isomeric Smiles
FC(F)(F)c1cc(cc(c1)C(F)(F)F)COC1CCCNC1c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.4140062
LogD (pH = 7.4)
3.8186169
Log P
5.490121
Molar Refractivity
93.7909
Polarizability
34.66278
Polar Surface Area
21.26
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
References
Bioactivity
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