Molecule

ID:45511

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃FN₂O₂
Molecular Mass
260.2636232
Exact Mass
260.09610589
Charge
0
InChI
InChI=1S/C14H13FN2O2/c1-19-13-8-11(16)6-7-12(13)17-14(18)9-2-4-10(15)5-3-9/h2-8H,16H2,1H3,(H,17,18)
InChIKey
LREHHDOXRGTVER-UHFFFAOYSA-N
Canonic Smiles
COc1cc(N)ccc1NC(=O)c1ccc(cc1)F
Isomeric Smiles
C(=O)(Nc1c(cc(N)cc1)OC)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
11.917289
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.2170389
LogD (pH = 7.4)
2.2211697
Log P
2.2212353
Molar Refractivity
72.9715
Polarizability
26.271898
Polar Surface Area
64.35
Rotatable Bonds
3
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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