Molecule

ID:101608

General Information
Structure
MolImage
Molecular Formula
C₅H₈N₄O₂
Molecular Mass
156.14262
Exact Mass
156.06472552
Charge
0
InChI
InChI=1S/C5H8N4O2/c1-9-3(5(11)7-6)2-4(10)8-9/h2H,6H2,1H3,(H,7,11)(H,8,10)
InChIKey
VUPZUFCFYRSPJZ-UHFFFAOYSA-N
Canonic Smiles
Cn1nc(cc1C(=O)NN)O
Isomeric Smiles
c1(n(nc(c1)O)C)C(=O)NN
Calculated Properties
JChem
Acid pKa
7.5224075
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-0.8386426
LogD (pH = 7.4)
-1.0708745
Log P
-0.8338362
Molar Refractivity
50.6958
Polarizability
13.913806
Polar Surface Area
93.17
Rotatable Bonds
1
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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