Molecule

ID:59527

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO₆
Molecular Mass
293.272
Exact Mass
293.08993721
Charge
0
InChI
InChI=1S/C14H15NO6/c1-10(16)13(14(17)21-7-6-20-2)9-11-4-3-5-12(8-11)15(18)19/h3-5,8-9H,6-7H2,1-2H3/b13-9+
InChIKey
UVZJPCAZMGLNTB-UKTHLTGXSA-N
Canonic Smiles
COCCOC(=O)/C(=C/c1cccc(c1)[N+](=O)[O-])/C(=O)C
Isomeric Smiles
c1(cccc(c1)[N+](=O)[O-])/C=C(/C(=O)OCCOC)\C(=O)C
Calculated Properties
JChem
Acid pKa
18.430956
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
2.325191
LogD (pH = 7.4)
2.325191
Log P
2.325191
Molar Refractivity
75.8226
Polarizability
28.371563
Polar Surface Area
98.42
Rotatable Bonds
8
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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