Molecule ID: mol17675

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

InChI: InChI=1S/C26H29N5O4S/c27-16-6-2-1-3-7-17-36(34,35)30-20-12-10-19(11-13-20)28-26-22-8-4-5-9-24(22)29-25-18-21(31(32)33)14-15-23(25)26/h4-5,8-15,18,30H,1-3,6-7,16-17,27H2,(H,28,29)

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