Molecule

ID:28490

General Information
Structure
Molecular Formula
C₁₆H₁₅FN₂
Molecular Mass
254.3021032
Exact Mass
254.12192671
Charge
0
InChI
InChI=1S/C16H15FN2/c17-14-6-4-12(5-7-14)10-18-11-13-2-1-3-16-15(13)8-9-19-16/h1-9,18-19H,10-11H2
InChIKey
XNKVZGOLAUCKEB-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)CNCc1cccc2c1cc[nH]2
Isomeric Smiles
c12c([nH]cc1)cccc2CNCc1ccc(F)cc1
Calculated Properties
JChem
Acid pKa
16.341257
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
0.39686716
LogD (pH = 7.4)
1.7474136
Log P
3.4975317
Molar Refractivity
75.2215
Polarizability
30.019932
Polar Surface Area
27.82
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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