Molecule

ID:59199

General Information
Structure
MolImage
Molecular Formula
C₄H₆N₄O₂
Molecular Mass
142.11604
Exact Mass
142.04907545
Charge
0
InChI
InChI=1S/C4H6N4O2/c1-2-6-4(10-8-2)3(9)7-5/h5H2,1H3,(H,7,9)
InChIKey
QBHWZTHKHVEAIB-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(on1)C(=O)NN
Isomeric Smiles
o1c(nc(n1)C)C(=O)NN
Calculated Properties
JChem
Acid pKa
11.551204
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.6855589
LogD (pH = 7.4)
-0.6853255
Log P
-0.68529415
Molar Refractivity
34.3382
Polarizability
11.708011
Polar Surface Area
94.04
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
No Data Available
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Molecule Details
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References
Bioactivity
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