Molecule

ID:116684

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇N₇
Molecular Mass
295.34238
Exact Mass
295.15454358
Charge
0
InChI
InChI=1S/C15H17N7/c1-2-4-12(5-3-1)10-22-15-13(19-20-22)14(17-11-18-15)21-8-6-16-7-9-21/h1-5,11,16H,6-10H2
InChIKey
ZYNHVOMFAZYLHZ-UHFFFAOYSA-N
Canonic Smiles
N1CCN(CC1)c1ncnc2c1nnn2Cc1ccccc1
Isomeric Smiles
c12c(n(nn1)Cc1ccccc1)ncnc2N1CCNCC1
Calculated Properties
JChem
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
-1.1510874
LogD (pH = 7.4)
0.4596611
Log P
1.7599561
Molar Refractivity
96.0011
Polarizability
31.98129
Polar Surface Area
71.76
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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