Molecule

ID:83141

General Information
Structure
Molecular Formula
C₉H₇ClN₂O₅S₂
Molecular Mass
322.74528
Exact Mass
321.94849101
Charge
0
InChI
InChI=1S/C9H7ClN2O5S2/c1-2-16-9(13)8-11-7(12-17-8)5-3-4-6(18-5)19(10,14)15/h3-4H,2H2,1H3
InChIKey
IDEJMYVAFDHGJU-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1onc(n1)c1ccc(s1)S(=O)(=O)Cl
Isomeric Smiles
n1c(onc1c1ccc(s1)S(=O)(=O)Cl)C(=O)OCC
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
2.165199
LogD (pH = 7.4)
2.165199
Log P
2.165199
Molar Refractivity
78.5803
Polarizability
27.104053
Polar Surface Area
99.36
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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