Molecule ID: mol5313

SMILES: O=S(=O)(O)CCCNc1ccccc1

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

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.85 IUPAC digitized pKa 0 » -1
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Charge States and Microspecies Visualization