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Chem 1 Pentane Sulphonic Acid Sodium Salt | Cheminformatics

1-Pentane Sulphonic Acid Sodium Salt


  • SKU Code: CH137282
Chemical Name - 1-Pentane Sulphonic Acid Sodium Salt
Mol Weight - 151.205
Smiles - CCCCCS([O-])(=O)=O.[Na+]
Property Name Property Value
Mol Name1-Pentane Sulphonic Acid Sodium Salt
Molweight151.205
Monoisotopic Mass151.04289
Clogp-1.2075
Clogs-1.018
H Acceptors3
Total Surface Area116.91
Relative Psa0.36661
Polar Surface Area65.58
Druglikeness-20.151
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.77778
Molecular Flexibility0.65078
Molecular Complexity0.54931
Fragments2
Non H Atoms9
Non Ch Atoms4
Electronegative Atoms4
Rotatable Bonds4
Sp3 Atoms7
Symmetric Atoms1
Acidic Oxygens1
SmilesCCCCCS([O-])(=O)=O.[Na+]
InChIKeyInChI=1S/C5H12O3S.Na/c1-2-3-4-5-9(6,7)8;/h2-5H2,1H3,(H,6,7,8);/q;+1/p-1
InChIROBLTDOHDSGGDT-UHFFFAOYSA-M

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