Molecule

ID:68158

General Information
Structure
MolImage
Molecular Formula
C₆H₄N₄O₄
Molecular Mass
196.12036
Exact Mass
196.02325463
Charge
0
InChI
InChI=1S/C6H4N4O4/c11-3-1-2(8-6(14)9-3)4(12)10-5(13)7-1/h(H2,7,10,12,13)(H2,8,9,11,14)
InChIKey
ZEKJTVBUDUYZOU-UHFFFAOYSA-N
Canonic Smiles
Oc1nc(O)c2c(n1)c(O)nc(n2)O
Isomeric Smiles
c1(nc2c(c(n1)O)nc(nc2O)O)O
Calculated Properties
JChem
Acid pKa
11.298134
H Acceptors
8
H Donor
4
LogD (pH = 5.5)
1.2196276
LogD (pH = 7.4)
1.2195743
Log P
1.2196283
Molar Refractivity
43.5354
Polarizability
16.909105
Polar Surface Area
132.48
Rotatable Bonds
0
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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