Molecule

ID:115453

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉N₉
Molecular Mass
325.37166
Exact Mass
325.17634165
Charge
0
InChI
InChI=1S/C15H19N9/c16-2-5-24-14-12(10-21-24)13(19-11-20-14)22-6-8-23(9-7-22)15-17-3-1-4-18-15/h1,3-4,10-11H,2,5-9,16H2
InChIKey
JESPXYHKADCSBJ-UHFFFAOYSA-N
Canonic Smiles
NCCn1ncc2c1ncnc2N1CCN(CC1)c1ncccn1
Isomeric Smiles
c12c(n(nc2)CCN)ncnc1N1CCN(c2ncccn2)CC1
Calculated Properties
JChem
H Acceptors
8
H Donor
1
LogD (pH = 5.5)
-3.6466875
LogD (pH = 7.4)
-1.9485672
Log P
0.26296848
Molar Refractivity
103.7568
Polarizability
34.056152
Polar Surface Area
101.88
Rotatable Bonds
4
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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