Molecule

ID:109679

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NO₄
Molecular Mass
221.20934
Exact Mass
221.06880784
Charge
0
InChI
InChI=1S/C11H11NO4/c1-2-16-11(13)8-5-9-3-6-10(7-4-9)12(14)15/h3-8H,2H2,1H3
InChIKey
PFBQVGXIMLXCQB-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)/C=C/c1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
CCOC(=O)/C=C/c1ccc(cc1)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.812106
LogD (pH = 7.4)
2.812106
Log P
2.812106
Molar Refractivity
58.8981
Polarizability
22.024607
Polar Surface Area
69.44
Rotatable Bonds
5
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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