Molecule ID: mol19353

SMILES: O=C(C[C@@H](CCCC1CCCCC1)c1nc(C(=O)NS(=O)(=O)c2ccccc2)no1)NO

InChI: InChI=1S/C21H28N4O6S/c26-18(23-28)14-16(11-7-10-15-8-3-1-4-9-15)21-22-19(24-31-21)20(27)25-32(29,30)17-12-5-2-6-13-17/h2,5-6,12-13,15-16,28H,1,3-4,7-11,14H2,(H,23,26)(H,25,27)/t16-/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.20 Baltruschat ChEMBL 0 » -1
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Charge States and Microspecies Visualization