Molecule

ID:89619

General Information
Structure
MolImage
Molecular Formula
C₆H₆N₄
Molecular Mass
134.13864
Exact Mass
134.05924621
Charge
0
InChI
InChI=1S/C6H6N4/c7-6-4-1-2-8-3-5(4)9-10-6/h1-3H,(H3,7,9,10)
InChIKey
LGZRIKTZAOPKET-UHFFFAOYSA-N
Canonic Smiles
Nc1n[nH]c2c1ccnc2
Isomeric Smiles
n1ccc2c(c1)[nH]nc2N
Calculated Properties
JChem
Acid pKa
13.626163
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.15782067
LogD (pH = 7.4)
-0.15585849
Log P
-0.15583317
Molar Refractivity
38.9301
Polarizability
14.884034
Polar Surface Area
67.59
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
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References
Bioactivity
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