Molecule

ID:61204

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅N₅
Molecular Mass
241.2917
Exact Mass
241.13274551
Charge
0
InChI
InChI=1S/C13H15N5/c1-9-8-10(2)16-13(15-9)18-12(14)17-11-6-4-3-5-7-11/h3-8H,1-2H3,(H3,14,15,16,17,18)
InChIKey
VPUNGERWGVXPEK-UHFFFAOYSA-N
Canonic Smiles
N=C(Nc1nc(C)cc(n1)C)Nc1ccccc1
Isomeric Smiles
c1c(nc(nc1C)NC(=N)Nc1ccccc1)C
Calculated Properties
JChem
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
1.048972
LogD (pH = 7.4)
2.0875857
Log P
2.1493328
Molar Refractivity
84.3181
Polarizability
26.500051
Polar Surface Area
73.69
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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