pps

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 172
Total Number of Articles : 141
PubChem 84929
Molecular Formula

C8H11NO3S

SMILES

C1=CC=[N+](C=C1)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C8H11NO3S/c10-13(11,12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2

synonyms
  • 15471-17-7
  • 3-(1-Pyridinio)-1-propanesulfonate
  • 1-(3-Sulphonatopropyl)pyridinium
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Properties
Property Value
MW 201.25 g/mol
HBD 0
HBA 3
Rotatable Bond Count 3
Exact Mass 201.04596439 g/mol
Monoisotopic Mass 201.04596439 g/mol
Heavy Atom Count 13
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 213
xlogp 0.1
Topological Polar Surface Area 69.5