Molecule ID: mol16146

SMILES: Nc1c(Cc2cccc3ccccc23)c(C2CC2)c2n(c1=O)C(C(=O)Nc1ccccc1)CS2

InChI: InChI=1S/C28H25N3O2S/c29-25-22(15-19-9-6-8-17-7-4-5-12-21(17)19)24(18-13-14-18)28-31(27(25)33)23(16-34-28)26(32)30-20-10-2-1-3-11-20/h1-12,18,23H,13-16,29H2,(H,30,32)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization