Molecule

ID:23277

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅FN₂O₂
Molecular Mass
274.2902032
Exact Mass
274.11175595
Charge
0
InChI
InChI=1S/C15H15FN2O2/c1-2-20-12-6-3-10(4-7-12)15(19)18-14-9-11(17)5-8-13(14)16/h3-9H,2,17H2,1H3,(H,18,19)
InChIKey
KZTLBAXHPVUNAK-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)C(=O)Nc1cc(N)ccc1F
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1F)c1ccc(cc1)OCC
Calculated Properties
JChem
Acid pKa
10.923626
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.574542
LogD (pH = 7.4)
2.5778742
Log P
2.5780432
Molar Refractivity
77.7201
Polarizability
28.106411
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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