Molecule
ID:123505
General Information
Molecular Formula
C₁₂H₁₆N₆
Molecular Mass
244.29564
Exact Mass
244.14364454
Charge
0
InChI
InChI=1S/C12H16N6/c13-11-8-10(18-9-14-15-16-18)4-5-12(11)17-6-2-1-3-7-17/h4-5,8-9H,1-3,6-7,13H2
InChIKey
ZNSIZNNEJZHGFJ-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(ccc1N1CCCCC1)n1cnnn1
Isomeric Smiles
n1(nnnc1)c1cc(c(N2CCCCC2)cc1)N
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.6897375
LogD (pH = 7.4)
1.1302941
Log P
1.1401542
Molar Refractivity
74.2639
Polarizability
26.411167
Polar Surface Area
72.86
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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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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