Molecule ID: mol17687

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

InChI: InChI=1S/C24H24N6O5S/c25-12-11-23(31)26-13-14-36(34,35)29-17-7-5-16(6-8-17)27-24-19-3-1-2-4-21(19)28-22-15-18(30(32)33)9-10-20(22)24/h1-10,15,29H,11-14,25H2,(H,26,31)(H,27,28)

Experimental Macro pKa Values

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