Molecule

ID:60323

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₂O₃
Molecular Mass
182.1766
Exact Mass
182.06914219
Charge
0
InChI
InChI=1S/C8H10N2O3/c1-2-13-8(12)5-10-4-7(6-11)3-9-10/h3-4,6H,2,5H2,1H3
InChIKey
UJBQFVWQNYOKQG-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)Cn1cc(cn1)C=O
Isomeric Smiles
n1(cc(cn1)C=O)CC(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.09427687
LogD (pH = 7.4)
0.094293326
Log P
0.094293535
Molar Refractivity
57.1477
Polarizability
17.254623
Polar Surface Area
61.19
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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