Molecule ID: mol17690

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

InChI: InChI=1S/C24H25N7O4S/c25-24(26)27-13-3-4-14-36(34,35)30-17-9-7-16(8-10-17)28-23-19-5-1-2-6-21(19)29-22-15-18(31(32)33)11-12-20(22)23/h1-2,5-12,15,30H,3-4,13-14H2,(H,28,29)(H4,25,26,27)

Experimental Macro pKa Values

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