Molecule

ID:19748

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)16-10-11-19(17(24)13-16)25-18-9-5-4-8-15(18)12-14-6-2-1-3-7-14/h1-11,13H,12,24H2
InChIKey
DUVWLKNTAKUSOV-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(ccc1Oc1ccccc1Cc1ccccc1)C(F)(F)F
Isomeric Smiles
C(c1cc(c(Oc2c(Cc3ccccc3)cccc2)cc1)N)(F)(F)F
Calculated Properties
JChem
Acid pKa
19.850716
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.614019
LogD (pH = 7.4)
5.614247
Log P
5.6142497
Molar Refractivity
92.7101
Polarizability
34.086506
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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