Molecule

ID:84455

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₆
Molecular Mass
260.3381
Exact Mass
260.17494467
Charge
0
InChI
InChI=1S/C13H20N6/c14-11-16-10(17-12(18-11)19-15)13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9H,1-6,15H2,(H3,14,16,17,18,19)
InChIKey
KEGVOBDLHVFDRZ-UHFFFAOYSA-N
Canonic Smiles
NNc1nc(N)nc(n1)C12CC3CC(C2)CC(C1)C3
Isomeric Smiles
n1c(nc(nc1C12CC3CC(C1)CC(C2)C3)N)NN
Calculated Properties
JChem
Acid pKa
14.96262
H Acceptors
6
H Donor
3
LogD (pH = 5.5)
0.7652071
LogD (pH = 7.4)
2.134456
Log P
2.6696463
Molar Refractivity
77.1897
Polarizability
27.517376
Polar Surface Area
102.74
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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