Molecule

ID:115448

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₆
Molecular Mass
260.3381
Exact Mass
260.17494467
Charge
0
InChI
InChI=1S/C13H20N6/c14-5-8-19-13-11(9-17-19)12(15-10-16-13)18-6-3-1-2-4-7-18/h9-10H,1-8,14H2
InChIKey
DMNNCTHOUPIHJN-UHFFFAOYSA-N
Canonic Smiles
NCCn1ncc2c1ncnc2N1CCCCCC1
Isomeric Smiles
c12c(n(nc2)CCN)ncnc1N1CCCCCC1
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-2.8564553
LogD (pH = 7.4)
-1.148584
Log P
1.0643878
Molar Refractivity
87.3409
Polarizability
28.777878
Polar Surface Area
72.86
Rotatable Bonds
3
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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