Molecule

ID:22989

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃FN₂O
Molecular Mass
244.2642232
Exact Mass
244.10119127
Charge
0
InChI
InChI=1S/C14H13FN2O/c1-9-12(16)7-4-8-13(9)17-14(18)10-5-2-3-6-11(10)15/h2-8H,16H2,1H3,(H,17,18)
InChIKey
GAPCBACGRDUQIT-UHFFFAOYSA-N
Canonic Smiles
Cc1c(cccc1N)NC(=O)c1ccccc1F
Isomeric Smiles
C(=O)(c1c(F)cccc1)Nc1c(c(N)ccc1)C
Calculated Properties
JChem
Acid pKa
12.290277
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.8868518
LogD (pH = 7.4)
2.8922532
Log P
2.892328
Molar Refractivity
71.5495
Polarizability
25.498774
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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