Molecule
ID:14095
General Information
Molecular Formula
C₃H₄N₄O₂
Molecular Mass
128.08946
Exact Mass
128.03342539
Charge
0
InChI
InChI=1S/C3H4N4O2/c4-2-1(3(5)8)6-9-7-2/h(H2,4,7)(H2,5,8)
InChIKey
NQUIGUVMOCOCDD-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1nonc1N
Isomeric Smiles
c1(c(non1)N)C(=O)N
Calculated Properties
JChem
Acid pKa
10.787233
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.78588474
LogD (pH = 7.4)
-0.7857288
Log P
-0.7858867
Molar Refractivity
30.1489
Polarizability
9.740262
Polar Surface Area
108.03
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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