Molecule

ID:53658

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O₄
Molecular Mass
222.1974
Exact Mass
222.06405681
Charge
0
InChI
InChI=1S/C10H10N2O4/c13-10-7-16-6-5-11(10)8-1-3-9(4-2-8)12(14)15/h1-4H,5-7H2
InChIKey
OWMGEFWSGOTGAU-UHFFFAOYSA-N
Canonic Smiles
O=C1COCCN1c1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1ccc(N2C(=O)COCC2)cc1)[O-]
Calculated Properties
JChem
Acid pKa
15.847001
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.66936
LogD (pH = 7.4)
0.66936
Log P
0.66936
Molar Refractivity
54.8418
Polarizability
20.816961
Polar Surface Area
72.68
Rotatable Bonds
2
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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