Molecule
ID:79096
General Information
Molecular Formula
C₆H₁₂N₂O₄
Molecular Mass
176.17048
Exact Mass
176.07970687
Charge
0
InChI
InChI=1S/C6H12N2O4/c1-11-4(12-2)3-8-6(10)5(7)9/h4H,3H2,1-2H3,(H2,7,9)(H,8,10)
InChIKey
SEDMUCLYVKEAGO-UHFFFAOYSA-N
Canonic Smiles
COC(CNC(=O)C(=O)N)OC
Isomeric Smiles
N(C(=O)C(=O)N)CC(OC)OC
Calculated Properties
JChem
Acid pKa
12.020518
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.4220338
LogD (pH = 7.4)
-1.4220426
Log P
-1.4220337
Molar Refractivity
39.8043
Polarizability
15.7718935
Polar Surface Area
90.65
Rotatable Bonds
5
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
No Data Available
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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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