Molecule
ID:87098
General Information
Molecular Formula
C₄H₈N₂O₂
Molecular Mass
116.11852
Exact Mass
116.05857751
Charge
0
InChI
InChI=1S/C4H8N2O2/c1-3(7)6-4(8)5-2/h1-2H3,(H2,5,6,7,8)
InChIKey
XRVHSOXXNQTWAW-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)NC(=O)C
Isomeric Smiles
N(C(=O)NC)C(=O)C
Calculated Properties
JChem
Acid pKa
11.788943
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.1515497
LogD (pH = 7.4)
-1.151567
Log P
-1.1515495
Molar Refractivity
27.6052
Polarizability
10.616618
Polar Surface Area
58.2
Rotatable Bonds
0
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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