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Chem 1 Heptane Sulphonic Acid Sodium Salt | Cheminformatics

1-Heptane Sulphonic Acid Sodium Salt


  • SKU Code: CH137289
Chemical Name - 1-Heptane Sulphonic Acid Sodium Salt
Mol Weight - 179.259
Smiles - CCCCCCCS([O-])(=O)=O.[Na+]
Property Name Property Value
Mol Name1-Heptane Sulphonic Acid Sodium Salt
Molweight179.259
Monoisotopic Mass179.07419
Clogp-0.2987
Clogs-1.558
H Acceptors3
Total Surface Area144.43
Relative Psa0.29675
Polar Surface Area65.58
Druglikeness-31.541
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.81818
Molecular Flexibility0.59777
Molecular Complexity0.46052
Fragments2
Non H Atoms11
Non Ch Atoms4
Electronegative Atoms4
Rotatable Bonds6
Sp3 Atoms9
Symmetric Atoms1
Acidic Oxygens1
SmilesCCCCCCCS([O-])(=O)=O.[Na+]
InChIKeyInChI=1S/C7H16O3S.Na/c1-2-3-4-5-6-7-11(8,9)10;/h2-7H2,1H3,(H,8,9,10);/q;+1/p-1
InChIREFMEZARFCPESH-UHFFFAOYSA-M

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