Molecule ID: mol17693

SMILES: N=C(N)NCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1

InChI: InChI=1S/C24H26N6O2S/c25-24(26)27-15-5-6-16-33(31,32)30-18-13-11-17(12-14-18)28-23-19-7-1-3-9-21(19)29-22-10-4-2-8-20(22)23/h1-4,7-14,30H,5-6,15-16H2,(H,28,29)(H4,25,26,27)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.91 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization