Molecule

ID:45539

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃FN₂O₂
Molecular Mass
260.2636232
Exact Mass
260.09610589
Charge
0
InChI
InChI=1S/C14H13FN2O2/c15-12-7-6-10(8-13(12)16)17-14(18)9-19-11-4-2-1-3-5-11/h1-8H,9,16H2,(H,17,18)
InChIKey
OEYBILZPMMEAPC-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccc(c(c1)N)F)COc1ccccc1
Isomeric Smiles
c1(cc(NC(=O)COc2ccccc2)ccc1F)N
Calculated Properties
JChem
Acid pKa
12.623693
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.0414996
LogD (pH = 7.4)
2.0416315
Log P
2.0416358
Molar Refractivity
71.7999
Polarizability
26.298088
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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