Molecule

ID:62678

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₆
Molecular Mass
272.3488
Exact Mass
272.17494467
Charge
0
InChI
InChI=1S/C14H20N6/c1-9-7-14(20-19-9)18-13-8-12(16-10(2)17-13)11-3-5-15-6-4-11/h7-8,11,15H,3-6H2,1-2H3,(H2,16,17,18,19,20)
InChIKey
YPAXMGSAQMEMTO-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(cc(n1)C1CCNCC1)Nc1[nH]nc(c1)C
Isomeric Smiles
c1(cc(n[nH]1)C)Nc1nc(nc(c1)C1CCNCC1)C
Calculated Properties
JChem
Acid pKa
14.16504
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-2.1797655
LogD (pH = 7.4)
-1.3136865
Log P
1.180324
Molar Refractivity
78.7017
Polarizability
29.525558
Polar Surface Area
78.52
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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