Molecule

ID:84113

General Information
Structure
MolImage
Molecular Formula
C₁₅H₉Cl₂NO₅
Molecular Mass
354.14166
Exact Mass
352.98577775
Charge
0
InChI
InChI=1S/C15H9Cl2NO5/c16-11-4-1-9(2-5-11)14(19)8-23-15(20)10-3-6-12(17)13(7-10)18(21)22/h1-7H,8H2
InChIKey
VKIDQPFOHCWYOC-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)C(=O)COC(=O)c1ccc(c(c1)[N+](=O)[O-])Cl
Isomeric Smiles
[N+](=O)(c1c(ccc(c1)C(=O)OCC(=O)c1ccc(cc1)Cl)Cl)[O-]
Calculated Properties
JChem
Acid pKa
13.674555
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.3570185
LogD (pH = 7.4)
4.3570185
Log P
4.3570185
Molar Refractivity
84.9193
Polarizability
32.049957
Polar Surface Area
89.19
Rotatable Bonds
6
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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