Molecule

ID:104031

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅N₅
Molecular Mass
241.2917
Exact Mass
241.13274551
Charge
0
InChI
InChI=1S/C13H15N5/c1-6-5-9-10(16-8(3)7(2)15-9)11-12(6)18(4)13(14)17-11/h5H,1-4H3,(H2,14,17)
InChIKey
MCFPPHKNJUOYBX-UHFFFAOYSA-N
Canonic Smiles
Cc1nc2c(nc1C)cc(c1c2nc(n1C)N)C
Isomeric Smiles
Cn1c(N)nc2c1c(C)cc1c2nc(C)c(C)n1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.2768565
LogD (pH = 7.4)
1.4379596
Log P
1.4404984
Molar Refractivity
69.6555
Polarizability
28.603605
Polar Surface Area
69.62
Rotatable Bonds
0
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
References
Bioactivity
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