Molecule ID: mol19410

SMILES: CCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)c(OC)c1

InChI: InChI=1S/C25H26N4O5S/c1-3-4-7-14-35(32,33)28-17-10-13-22(24(15-17)34-2)27-25-19-8-5-6-9-21(19)26-23-16-18(29(30)31)11-12-20(23)25/h5-6,8-13,15-16,28H,3-4,7,14H2,1-2H3,(H,26,27)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.69 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization