Molecule

ID:43076

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₅
Molecular Mass
223.18216
Exact Mass
223.04807239
Charge
0
InChI
InChI=1S/C10H9NO5/c1-7(12)16-6-10(13)8-2-4-9(5-3-8)11(14)15/h2-5H,6H2,1H3
InChIKey
SROHNFZTTHLMQF-UHFFFAOYSA-N
Canonic Smiles
CC(=O)OCC(=O)c1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
c1c(ccc(c1)C(=O)COC(=O)C)[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
13.268095
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.0947549
LogD (pH = 7.4)
1.0947543
Log P
1.0947549
Molar Refractivity
54.6392
Polarizability
20.498238
Polar Surface Area
89.19
Rotatable Bonds
5
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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