Molecule

ID:45545

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅FN₂O₂
Molecular Mass
274.2902032
Exact Mass
274.11175595
Charge
0
InChI
InChI=1S/C15H15FN2O2/c1-10-5-6-12(17)8-14(10)18-15(19)9-20-13-4-2-3-11(16)7-13/h2-8H,9,17H2,1H3,(H,18,19)
InChIKey
LTFNPCPPCTXXOV-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1cc(N)ccc1C)COc1cccc(c1)F
Isomeric Smiles
c1(NC(=O)COc2cc(F)ccc2)cc(N)ccc1C
Calculated Properties
JChem
Acid pKa
12.58698
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.53369
LogD (pH = 7.4)
2.5547786
Log P
2.555057
Molar Refractivity
76.8411
Polarizability
28.056034
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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