Molecule ID: mol19411

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

InChI: InChI=1S/C26H28N4O5S/c1-3-4-5-8-15-36(33,34)29-18-11-14-23(25(16-18)35-2)28-26-20-9-6-7-10-22(20)27-24-17-19(30(31)32)12-13-21(24)26/h6-7,9-14,16-17,29H,3-5,8,15H2,1-2H3,(H,27,28)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization