Molecule
ID:109299
General Information
Molecular Formula
C₃H₆N₂O₃
Molecular Mass
118.09134
Exact Mass
118.03784206
Charge
0
InChI
InChI=1S/C3H6N2O3/c1-8-3(7)5-2(4)6/h1H3,(H3,4,5,6,7)
InChIKey
ICYIIEFSHYSYRV-UHFFFAOYSA-N
Canonic Smiles
COC(=O)NC(=O)N
Isomeric Smiles
COC(=O)NC(=O)N
Calculated Properties
JChem
LogD (pH = 7.4)
-0.76
LogD (pH = 5.5)
-0.76
Log P
-0.76
Rotatable Bonds
1
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
10.62
Polar Surface Area
81.42
Polarizability
10.15
Molar Refractivity
24.33
LOG S
0.02
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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