Molecule

ID:67047

General Information
Structure
MolImage
Molecular Formula
C₆H₆N₄
Molecular Mass
134.13864
Exact Mass
134.05924621
Charge
0
InChI
InChI=1S/C6H6N4/c1-4-5(2-7)3-9-6(8)10-4/h3H,1H3,(H2,8,9,10)
InChIKey
UAMNOSOUFLKQAB-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cnc(nc1C)N
Isomeric Smiles
c1(nc(c(cn1)C#N)C)N
Calculated Properties
JChem
Acid pKa
16.306412
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.1129477
LogD (pH = 7.4)
-0.11293824
Log P
-0.11293812
Molar Refractivity
37.6818
Polarizability
13.298838
Polar Surface Area
75.59
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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