Molecule

ID:45435

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃FN₂O₂
Molecular Mass
260.2636232
Exact Mass
260.09610589
Charge
0
InChI
InChI=1S/C14H13FN2O2/c1-19-11-4-2-3-9(7-11)14(18)17-13-8-10(16)5-6-12(13)15/h2-8H,16H2,1H3,(H,17,18)
InChIKey
QQMPAKGDJOHSED-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)C(=O)Nc1cc(N)ccc1F
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1F)c1cc(OC)ccc1
Calculated Properties
JChem
Acid pKa
10.60818
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.2177138
LogD (pH = 7.4)
2.2209327
Log P
2.2212353
Molar Refractivity
72.9715
Polarizability
26.272768
Polar Surface Area
64.35
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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