Molecule

ID:82164

General Information
Structure
MolImage
Molecular Formula
C₂H₄N₆O
Molecular Mass
128.09276
Exact Mass
128.04465878
Charge
0
InChI
InChI=1S/C2H4N6O/c3-1-5-6-7-8(1)2(4)9/h(H2,4,9)(H2,3,5,7)
InChIKey
DMYMILXGBODDII-UHFFFAOYSA-N
Canonic Smiles
NC(=O)n1nnnc1N
Isomeric Smiles
n1(c(nnn1)N)C(=O)N
Calculated Properties
JChem
Acid pKa
13.163762
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-1.2793767
LogD (pH = 7.4)
-1.2793773
Log P
-1.2793767
Molar Refractivity
30.4393
Polarizability
9.865511
Polar Surface Area
112.71
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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