Molecule

ID:64608

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂O₆
Molecular Mass
300.3077
Exact Mass
300.13213637
Charge
0
InChI
InChI=1S/C13H20N2O6/c1-4-19-12(20-5-2)9-14-10(13(16)21-6-3)7-8-11(14)15(17)18/h7-8,12H,4-6,9H2,1-3H3
InChIKey
WGXFNSFTGHOHPU-UHFFFAOYSA-N
Canonic Smiles
CCOC(Cn1c(ccc1C(=O)OCC)[N+](=O)[O-])OCC
Isomeric Smiles
n1(c(ccc1C(=O)OCC)[N+](=O)[O-])CC(OCC)OCC
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
2.5319102
LogD (pH = 7.4)
2.5319102
Log P
2.5319102
Molar Refractivity
75.2647
Polarizability
28.67726
Polar Surface Area
95.51
Rotatable Bonds
10
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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