Molecule

ID:45552

General Information
Structure
Molecular Formula
C₁₄H₁₃FN₂O₂
Molecular Mass
260.2636232
Exact Mass
260.09610589
Charge
0
InChI
InChI=1S/C14H13FN2O2/c15-10-2-1-3-13(8-10)19-9-14(18)17-12-6-4-11(16)5-7-12/h1-8H,9,16H2,(H,17,18)
InChIKey
AMQAJUPEJYFLBF-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccc(cc1)N)COc1cccc(c1)F
Isomeric Smiles
C(=O)(Nc1ccc(N)cc1)COc1cc(F)ccc1
Calculated Properties
JChem
Acid pKa
12.792568
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.0334268
LogD (pH = 7.4)
2.0415297
Log P
2.0416358
Molar Refractivity
71.7999
Polarizability
26.295834
Polar Surface Area
64.35
Rotatable Bonds
4
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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