Molecule

ID:75685

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀N₂O₅
Molecular Mass
262.2182
Exact Mass
262.05897143
Charge
0
InChI
InChI=1S/C12H10N2O5/c1-2-18-12(15)10-11(19-7-13-10)8-3-5-9(6-4-8)14(16)17/h3-7H,2H2,1H3
InChIKey
WFXGNVYQHVQFKU-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ncoc1c1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
n1coc(c1C(=O)OCC)c1ccc(cc1)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.168483
LogD (pH = 7.4)
2.168483
Log P
1.9684831
Molar Refractivity
64.5035
Polarizability
25.462517
Polar Surface Area
95.47
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
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Molecule Details
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References
Bioactivity
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