Molecule

ID:116683

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅N₇
Molecular Mass
281.3158
Exact Mass
281.13889352
Charge
0
InChI
InChI=1S/C14H15N7/c1-2-4-11(5-3-1)21-14-12(18-19-21)13(16-10-17-14)20-8-6-15-7-9-20/h1-5,10,15H,6-9H2
InChIKey
HFCGNVHLJCNIAN-UHFFFAOYSA-N
Canonic Smiles
N1CCN(CC1)c1ncnc2c1nnn2c1ccccc1
Isomeric Smiles
n1(nnc2c1ncnc2N1CCNCC1)c1ccccc1
Calculated Properties
JChem
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
-1.2166588
LogD (pH = 7.4)
0.39466208
Log P
1.6934414
Molar Refractivity
80.8468
Polarizability
30.894556
Polar Surface Area
71.76
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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