Molecule
ID:120337
General Information
Molecular Formula
C₂H₆N₄O₂
Molecular Mass
118.09464
Exact Mass
118.04907545
Charge
0
InChI
InChI=1S/C2H6N4O2/c3-1(5-7)2(4)6-8/h7-8H,(H2,3,5)(H2,4,6)
InChIKey
BFXWFQSYMVKOCJ-UHFFFAOYSA-N
Canonic Smiles
O/N=C(\C(=N\O)\N)/N
Isomeric Smiles
C(=N\O)(/C(=N\O)/N)\N
Calculated Properties
JChem
Acid pKa
10.714133
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
-1.7475142
LogD (pH = 7.4)
-1.744595
Log P
-1.7443439
Molar Refractivity
25.9706
Polarizability
9.735269
Polar Surface Area
117.22
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
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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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