Molecule
ID:83873
General Information
Molecular Formula
C₂₂H₁₈N₄
Molecular Mass
338.40512
Exact Mass
338.1531466
Charge
0
InChI
InChI=1S/C22H18N4/c23-24-22-20(17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)21(25-26-22)18-14-8-3-9-15-18/h1-15H,23H2,(H,24,26)
InChIKey
BJXMZLWEKTZSGR-UHFFFAOYSA-N
Canonic Smiles
NNc1nnc(c(c1c1ccccc1)c1ccccc1)c1ccccc1
Isomeric Smiles
n1c(c(c(c(n1)NN)c1ccccc1)c1ccccc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
17.786993
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
4.515952
LogD (pH = 7.4)
5.0745006
Log P
5.08943
Molar Refractivity
108.8212
Polarizability
44.29732
Polar Surface Area
63.83
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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