Molecule

ID:54111

General Information
Structure
MolImage
Molecular Formula
C₄H₈N₂O₃
Molecular Mass
132.11792
Exact Mass
132.05349213
Charge
0
InChI
InChI=1S/C4H8N2O3/c1-2-9-4(7)3(5)6-8/h8H,2H2,1H3,(H2,5,6)
InChIKey
QGYKRMZPOOILBA-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)/C(=N\O)/N
Isomeric Smiles
CCOC(=O)/C(=N\O)/N
Calculated Properties
JChem
Acid pKa
7.4138517
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.27325773
LogD (pH = 7.4)
-0.5604091
Log P
-0.26801237
Molar Refractivity
29.7223
Polarizability
11.577529
Polar Surface Area
84.91
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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