Molecule

ID:93647

General Information
Structure
MolImage
Molecular Formula
C₂₂H₁₇FN₂O
Molecular Mass
344.3815832
Exact Mass
344.13249139
Charge
0
InChI
InChI=1S/C22H17FN2O/c1-15-6-5-7-16(10-15)17(13-24)11-19-12-18(14-25(19)2)22(26)20-8-3-4-9-21(20)23/h3-12,14H,1-2H3
InChIKey
UHQKQQPAKDKNNB-UHFFFAOYSA-N
Canonic Smiles
N#C/C(=C\c1cc(cn1C)C(=O)c1ccccc1F)/c1cccc(c1)C
Isomeric Smiles
n1(cc(cc1/C=C(/c1cccc(c1)C)\C#N)C(=O)c1c(cccc1)F)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.3678274
LogD (pH = 7.4)
5.3678274
Log P
5.3678274
Molar Refractivity
101.8574
Polarizability
37.720493
Polar Surface Area
45.79
Rotatable Bonds
4
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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