Molecule

ID:23259

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅FN₂O₃
Molecular Mass
290.2896032
Exact Mass
290.10667057
Charge
0
InChI
InChI=1S/C15H15FN2O3/c1-20-11-3-5-12(6-4-11)21-9-15(19)18-14-8-10(17)2-7-13(14)16/h2-8H,9,17H2,1H3,(H,18,19)
InChIKey
BRBRDTZJTNUAPW-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)OCC(=O)Nc1cc(N)ccc1F
Isomeric Smiles
c1(NC(=O)COc2ccc(cc2)OC)cc(N)ccc1F
Calculated Properties
JChem
Acid pKa
11.1610565
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.8801608
LogD (pH = 7.4)
1.8838447
Log P
1.8839644
Molar Refractivity
78.2631
Polarizability
28.83928
Polar Surface Area
73.58
Rotatable Bonds
5
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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