Molecule ID: mol17688

SMILES: N=C(N)NCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)cc1

InChI: InChI=1S/C22H21N7O4S/c23-22(24)25-11-12-34(32,33)28-15-7-5-14(6-8-15)26-21-17-3-1-2-4-19(17)27-20-13-16(29(30)31)9-10-18(20)21/h1-10,13,28H,11-12H2,(H,26,27)(H4,23,24,25)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.26 Baltruschat ChEMBL 2 » 1
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Charge States and Microspecies Visualization