Molecule ID: mol28745

SMILES: O=C(NC1CCCCC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1

InChI: InChI=1S/C13H17N3O5S/c17-13(14-10-4-2-1-3-5-10)15-22(20,21)12-8-6-11(7-9-12)16(18)19/h6-10H,1-5H2,(H2,14,15,17)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.00 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization