Molecule

ID:101601

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃N₅
Molecular Mass
203.24372
Exact Mass
203.11709544
Charge
0
InChI
InChI=1S/C10H13N5/c11-6-8-7-13-10(14-9(8)12)15-4-2-1-3-5-15/h7H,1-5H2,(H2,12,13,14)
InChIKey
DIMBMIZSLPVIKY-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cnc(nc1N)N1CCCCC1
Isomeric Smiles
n1c(ncc(c1N)C#N)N1CCCCC1
Calculated Properties
JChem
Acid pKa
18.596884
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
1.3050823
LogD (pH = 7.4)
1.3085153
Log P
1.3085592
Molar Refractivity
59.9744
Polarizability
21.141819
Polar Surface Area
78.83
Rotatable Bonds
1
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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