Molecule

ID:14002

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃N₅
Molecular Mass
203.24372
Exact Mass
203.11709544
Charge
0
InChI
InChI=1S/C10H13N5/c1-6-5-9(13-10(11)12-6)15-8(3)4-7(2)14-15/h4-5H,1-3H3,(H2,11,12,13)
InChIKey
ZUMRLAHQBUJLIY-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(N)nc(c1)n1nc(cc1C)C
Isomeric Smiles
n1(c2cc(nc(n2)N)C)nc(cc1C)C
Calculated Properties
JChem
Acid pKa
16.750124
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.43222332
LogD (pH = 7.4)
0.85394
Log P
1.0421733
Molar Refractivity
60.3766
Polarizability
21.380688
Polar Surface Area
69.62
Rotatable Bonds
1
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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