Molecule ID: mol17689

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

InChI: InChI=1S/C23H23N7O4S/c24-23(25)26-12-3-13-35(33,34)29-16-8-6-15(7-9-16)27-22-18-4-1-2-5-20(18)28-21-14-17(30(31)32)10-11-19(21)22/h1-2,4-11,14,29H,3,12-13H2,(H,27,28)(H4,24,25,26)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization