Molecule

ID:73785

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇NO₅
Molecular Mass
233.17698
Exact Mass
233.03242233
Charge
0
InChI
InChI=1S/C11H7NO5/c1-5(13)8-10(14)6-3-2-4-7(12(16)17)9(6)11(8)15/h2-4,8H,1H3
InChIKey
OSZUSQXEYYPINX-UHFFFAOYSA-N
Canonic Smiles
CC(=O)C1C(=O)c2c(C1=O)c(ccc2)[N+](=O)[O-]
Isomeric Smiles
O=C1c2c(c(ccc2)[N+](=O)[O-])C(=O)C1C(=O)C
Calculated Properties
JChem
Acid pKa
1.4913818
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
-0.8855106
LogD (pH = 7.4)
-0.8907185
Log P
1.2084036
Molar Refractivity
57.7315
Polarizability
20.997513
Polar Surface Area
97.03
Rotatable Bonds
2
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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