Molecule

ID:61234

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄FN₅
Molecular Mass
259.2821632
Exact Mass
259.12332369
Charge
0
InChI
InChI=1S/C13H14FN5/c1-8-7-9(2)17-13(16-8)19-12(15)18-11-5-3-10(14)4-6-11/h3-7H,1-2H3,(H3,15,16,17,18,19)
InChIKey
HXOLTKGSYIFEBZ-UHFFFAOYSA-N
Canonic Smiles
N=C(Nc1nc(C)cc(n1)C)Nc1ccc(cc1)F
Isomeric Smiles
c1c(nc(nc1C)NC(=N)Nc1ccc(cc1)F)C
Calculated Properties
JChem
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
1.5026617
LogD (pH = 7.4)
2.264186
Log P
2.2920346
Molar Refractivity
84.5345
Polarizability
26.183199
Polar Surface Area
73.69
Rotatable Bonds
2
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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