Molecule

ID:79029

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃ClN₂O₄S
Molecular Mass
292.73922
Exact Mass
292.02845559
Charge
0
InChI
InChI=1S/C10H13ClN2O4S/c11-7-1-2-8-18(16,17)12-9-3-5-10(6-4-9)13(14)15/h3-6,12H,1-2,7-8H2
InChIKey
GWBYZSOJKKIYGC-UHFFFAOYSA-N
Canonic Smiles
ClCCCCS(=O)(=O)Nc1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
S(=O)(=O)(Nc1ccc(cc1)[N+](=O)[O-])CCCCCl
Calculated Properties
JChem
Acid pKa
8.250601
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.6796881
LogD (pH = 7.4)
1.6299933
Log P
1.6803707
Molar Refractivity
69.043
Polarizability
26.843597
Polar Surface Area
91.99
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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