Molecule

ID:31786

General Information
Structure
MolImage
Molecular Formula
C₈H₈ClNO₄S
Molecular Mass
249.67142
Exact Mass
248.98625642
Charge
0
InChI
InChI=1S/C8H8ClNO4S/c9-15(12,13)7-3-1-6(2-4-7)14-5-8(10)11/h1-4H,5H2,(H2,10,11)
InChIKey
SQBPPZBVDLIFHL-UHFFFAOYSA-N
Canonic Smiles
NC(=O)COc1ccc(cc1)S(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(c1ccc(OCC(=O)N)cc1)Cl
Calculated Properties
JChem
Acid pKa
13.54247
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.43291828
LogD (pH = 7.4)
0.43291855
Log P
0.43291828
Molar Refractivity
54.6222
Polarizability
22.098219
Polar Surface Area
86.46
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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