Molecule

ID:61233

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉N₅
Molecular Mass
269.34486
Exact Mass
269.16404563
Charge
0
InChI
InChI=1S/C15H19N5/c1-9-6-5-7-13(12(9)4)19-14(16)20-15-17-10(2)8-11(3)18-15/h5-8H,1-4H3,(H3,16,17,18,19,20)
InChIKey
HFOKJZVPXJPGRG-UHFFFAOYSA-N
Canonic Smiles
N=C(Nc1cccc(c1C)C)Nc1nc(C)cc(n1)C
Isomeric Smiles
c1c(nc(nc1C)NC(=N)Nc1cccc(c1C)C)C
Calculated Properties
JChem
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
2.111757
LogD (pH = 7.4)
3.1196342
Log P
3.1761754
Molar Refractivity
94.4005
Polarizability
30.029379
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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