Molecule

ID:80090

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂O₅
Molecular Mass
296.319
Exact Mass
296.13722175
Charge
0
InChI
InChI=1S/C14H20N2O5/c1-3-20-13-10-12(16(17)18)14(21-4-2)9-11(13)15-5-7-19-8-6-15/h9-10H,3-8H2,1-2H3
InChIKey
KNHGNICBXADRMC-UHFFFAOYSA-N
Canonic Smiles
CCOc1cc([N+](=O)[O-])c(cc1N1CCOCC1)OCC
Isomeric Smiles
[N+](=O)(c1cc(c(cc1OCC)N1CCOCC1)OCC)[O-]
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
2.2010467
LogD (pH = 7.4)
2.2010467
Log P
2.2010467
Molar Refractivity
79.3094
Polarizability
29.454182
Polar Surface Area
76.75
Rotatable Bonds
6
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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