Molecule

ID:54707

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO₆
Molecular Mass
293.272
Exact Mass
293.08993721
Charge
0
InChI
InChI=1S/C14H15NO6/c1-3-20-13(16)11(14(17)21-4-2)9-10-7-5-6-8-12(10)15(18)19/h5-9H,3-4H2,1-2H3
InChIKey
BLHLIGAACQEKRY-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(=Cc1ccccc1[N+](=O)[O-])C(=O)OCC
Isomeric Smiles
C(=Cc1c([N+](=O)[O-])cccc1)(C(=O)OCC)C(=O)OCC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.1353843
LogD (pH = 7.4)
3.1353843
Log P
3.1353843
Molar Refractivity
75.4943
Polarizability
28.37395
Polar Surface Area
98.42
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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