Molecule

ID:115446

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₆
Molecular Mass
232.28494
Exact Mass
232.14364454
Charge
0
InChI
InChI=1S/C11H16N6/c12-3-6-17-11-9(7-15-17)10(13-8-14-11)16-4-1-2-5-16/h7-8H,1-6,12H2
InChIKey
SLJRHPHHHYZCHG-UHFFFAOYSA-N
Canonic Smiles
NCCn1ncc2c1ncnc2N1CCCC1
Isomeric Smiles
c12c(n(nc2)CCN)ncnc1N1CCCC1
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-3.745585
LogD (pH = 7.4)
-2.0377204
Log P
0.1752505
Molar Refractivity
78.1389
Polarizability
25.097076
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
Molecule Details
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References
Bioactivity
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