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Chem 1 Octane Sulphonic Acid Sodium Salt | Cheminformatics

1-Octane Sulphonic Acid Sodium Salt


  • SKU Code: CH137295
Chemical Name - 1-Octane Sulphonic Acid Sodium Salt
Mol Weight - 193.286
Smiles - CCCCCCCCS([O-])(=O)=O.[Na+]
Property Name Property Value
Mol Name1-Octane Sulphonic Acid Sodium Salt
Molweight193.286
Monoisotopic Mass193.08984
Clogp0.1557
Clogs-1.828
H Acceptors3
Total Surface Area158.19
Relative Psa0.27094
Polar Surface Area65.58
Druglikeness-34.411
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.83333
Molecular Flexibility0.58022
Molecular Complexity0.47958
Fragments2
Non H Atoms12
Non Ch Atoms4
Electronegative Atoms4
Rotatable Bonds7
Sp3 Atoms10
Symmetric Atoms1
Acidic Oxygens1
SmilesCCCCCCCCS([O-])(=O)=O.[Na+]
InChIKeyInChI=1S/C8H18O3S.Na/c1-2-3-4-5-6-7-8-12(9,10)11;/h2-8H2,1H3,(H,9,10,11);/q;+1/p-1
InChIHRQDCDQDOPSGBR-UHFFFAOYSA-M

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