Molecule

ID:58770

General Information
Structure
MolImage
Molecular Formula
C₃H₆N₂O₃
Molecular Mass
118.09134
Exact Mass
118.03784206
Charge
0
InChI
InChI=1S/C3H6N2O3/c1-8-3(7)2(6)5-4/h4H2,1H3,(H,5,6)
InChIKey
FJIXKJZGSRJXOZ-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)C(=O)OC
Isomeric Smiles
C(=O)(C(=O)OC)NN
Calculated Properties
JChem
Acid pKa
9.339895
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.9883513
LogD (pH = 7.4)
-0.9923385
Log P
-0.98794246
Molar Refractivity
25.514
Polarizability
9.849725
Polar Surface Area
81.42
Rotatable Bonds
2
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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