Molecule

ID:22495

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉N₃O₄
Molecular Mass
293.31836
Exact Mass
293.1375561
Charge
0
InChI
InChI=1S/C14H19N3O4/c1-3-21-14(18)11-4-5-12(13(10-11)17(19)20)16-8-6-15(2)7-9-16/h4-5,10H,3,6-9H2,1-2H3
InChIKey
SHIZECNQEQRLRD-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCN(CC1)C
Isomeric Smiles
C(=O)(c1cc(c(cc1)N1CCN(CC1)C)[N+](=O)[O-])OCC
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
0.6595241
LogD (pH = 7.4)
2.064505
Log P
2.2286785
Molar Refractivity
80.6353
Polarizability
29.643236
Polar Surface Area
78.6
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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