Molecule

ID:23090

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃FN₂O
Molecular Mass
244.2642232
Exact Mass
244.10119127
Charge
0
InChI
InChI=1S/C14H13FN2O/c1-9-8-10(16)6-7-13(9)17-14(18)11-4-2-3-5-12(11)15/h2-8H,16H2,1H3,(H,17,18)
InChIKey
LTKXHVNDJVDNCZ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C)NC(=O)c1ccccc1F
Isomeric Smiles
C(=O)(c1c(F)cccc1)Nc1c(cc(N)cc1)C
Calculated Properties
JChem
Acid pKa
12.02558
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.8814135
LogD (pH = 7.4)
2.892179
Log P
2.892328
Molar Refractivity
71.5495
Polarizability
25.49768
Polar Surface Area
55.12
Rotatable Bonds
2
Lipinski's Rule of Five
true
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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