Molecule

ID:105693

General Information
Structure
MolImage
Molecular Formula
C₄H₈N₂O₃
Molecular Mass
132.11792
Exact Mass
132.05349213
Charge
0
InChI
InChI=1S/C4H8N2O3/c1-4(7)9-3-6(2)5-8/h3H2,1-2H3
InChIKey
WBXQXRXMGCOVHA-UHFFFAOYSA-N
Canonic Smiles
O=NN(COC(=O)C)C
Isomeric Smiles
CN(COC(=O)C)N=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.1003361
LogD (pH = 7.4)
-0.100262776
Log P
-0.10026184
Molar Refractivity
30.3038
Polarizability
11.499577
Polar Surface Area
58.97
Rotatable Bonds
4
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
No Data Available
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Molecule Details
References
Bioactivity
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