Molecule

ID:54138

General Information
Structure
MolImage
Molecular Formula
C₆H₈N₂O₃
Molecular Mass
156.13932
Exact Mass
156.05349213
Charge
0
InChI
InChI=1S/C6H8N2O3/c1-3-10-6(9)5-7-4(2)11-8-5/h3H2,1-2H3
InChIKey
HNDWRTBIZFQJTB-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1noc(n1)C
Isomeric Smiles
c1(C(=O)OCC)nc(on1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.7052783
LogD (pH = 7.4)
0.7052783
Log P
0.7052783
Molar Refractivity
37.5496
Polarizability
13.654509
Polar Surface Area
65.22
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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