Molecule

ID:22185

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₄O
Molecular Mass
154.1698
Exact Mass
154.08546096
Charge
0
InChI
InChI=1S/C6H10N4O/c1-4-3-5(6(11)8-7)10(2)9-4/h3H,7H2,1-2H3,(H,8,11)
InChIKey
JNCYYXYBTYXWKZ-UHFFFAOYSA-N
Canonic Smiles
Cn1nc(cc1C(=O)NN)C
Isomeric Smiles
c1c(n(nc1C)C)C(=O)NN
Calculated Properties
JChem
Acid pKa
13.910745
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.99432075
LogD (pH = 7.4)
-0.9933705
Log P
-0.99335825
Molar Refractivity
52.9929
Polarizability
14.982426
Polar Surface Area
72.94
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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