Molecule
ID:29850
General Information
Molecular Formula
C₁₁H₁₃NO₅
Molecular Mass
239.22462
Exact Mass
239.07937252
Charge
0
InChI
InChI=1S/C11H13NO5/c1-3-16-10-6-5-8(11(13)17-4-2)7-9(10)12(14)15/h5-7H,3-4H2,1-2H3
InChIKey
OFGXEABLPOGFPA-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(c(c1)[N+](=O)[O-])OCC
Isomeric Smiles
c1(c(cc(cc1)C(=O)OCC)[N+](=O)[O-])OCC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.4726517
LogD (pH = 7.4)
2.4726517
Log P
2.4726517
Molar Refractivity
61.3684
Polarizability
22.903797
Polar Surface Area
81.35
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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