Molecule

ID:20315

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₆F₃NO
Molecular Mass
343.3423496
Exact Mass
343.1183988
Charge
0
InChI
InChI=1S/C20H16F3NO/c21-20(22,23)18-13-17(10-11-19(18)24)25-16-8-6-15(7-9-16)12-14-4-2-1-3-5-14/h1-11,13H,12,24H2
InChIKey
JHGZXAKJCKJMSU-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1C(F)(F)F)Oc1ccc(cc1)Cc1ccccc1
Isomeric Smiles
c1(C(F)(F)F)c(ccc(c1)Oc1ccc(Cc2ccccc2)cc1)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.6139307
LogD (pH = 7.4)
5.6142454
Log P
5.6142497
Molar Refractivity
92.7101
Polarizability
34.0843
Polar Surface Area
35.25
Rotatable Bonds
5
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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