Molecule ID: mol37198

SMILES: O=S(=O)(O)CCNCc1ccccc1

InChI: InChI=1S/C9H13NO3S/c11-14(12,13)7-6-10-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,11,12,13)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.46 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization