Molecule

ID:61007

General Information
Structure
Molecular Formula
C₄H₄N₆
Molecular Mass
136.11476
Exact Mass
136.04974416
Charge
0
InChI
InChI=1S/C4H4N6/c5-3-6-1-7-4-8-2-9-10(3)4/h1-2H,(H2,5,6,7,8,9)
InChIKey
ZHZWMRRPQUILBB-UHFFFAOYSA-N
Canonic Smiles
Nc1ncnc2n1ncn2
Isomeric Smiles
n12c(ncnc1N)ncn2
Calculated Properties
JChem
Acid pKa
19.297949
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.61895996
LogD (pH = 7.4)
-0.618647
Log P
-0.618643
Molar Refractivity
46.9527
Polarizability
11.892118
Polar Surface Area
81.99
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
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Molecule Details
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References
Bioactivity
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