Molecule

ID:83276

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈N₂O₄
Molecular Mass
220.18152
Exact Mass
220.04840675
Charge
0
InChI
InChI=1S/C10H8N2O4/c1-6-9(10(13)14)12(16)8-5-3-2-4-7(8)11(6)15/h2-5H,1H3,(H,13,14)
InChIKey
GZFAINXKJDVGFY-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1[n+]([O-])c2ccccc2[n+](c1C)[O-]
Isomeric Smiles
[n+]1(c(c([n+](c2ccccc12)[O-])C)C(=O)O)[O-]
Calculated Properties
JChem
Acid pKa
-1.4578263
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.6160574
LogD (pH = 7.4)
-3.6161077
Log P
-2.0493748
Molar Refractivity
57.4858
Polarizability
21.15578
Polar Surface Area
88.22
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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