Molecule

ID:81546

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉NO₅
Molecular Mass
269.29366
Exact Mass
269.12632271
Charge
0
InChI
InChI=1S/C13H19NO5/c1-4-17-13(18-5-2)9-19-11-7-6-10(3)12(8-11)14(15)16/h6-8,13H,4-5,9H2,1-3H3
InChIKey
WHLMZNXWRBUHGC-UHFFFAOYSA-N
Canonic Smiles
CCOC(COc1ccc(c(c1)[N+](=O)[O-])C)OCC
Isomeric Smiles
[N+](=O)(c1c(ccc(c1)OCC(OCC)OCC)C)[O-]
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
3.214523
LogD (pH = 7.4)
3.214523
Log P
3.214523
Molar Refractivity
71.2089
Polarizability
27.118462
Polar Surface Area
73.51
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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