Molecule

ID:112556

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉NO₆
Molecular Mass
261.27166
Exact Mass
261.12123733
Charge
0
InChI
InChI=1S/C11H19NO6/c1-5-17-9(13)7-8(10(14)18-6-2)11(3,4)12(15)16/h8H,5-7H2,1-4H3
InChIKey
AVAOKNUHHQQNSO-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CC(C([N+](=O)[O-])(C)C)C(=O)OCC
Isomeric Smiles
CCOC(=O)CC(C(=O)OCC)C(C)(C)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.1043996
LogD (pH = 7.4)
1.1043996
Log P
1.1043996
Molar Refractivity
62.3049
Polarizability
24.595303
Polar Surface Area
98.42
Rotatable Bonds
9
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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