Molecule ID: mol19391

SMILES: CCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc(OC)ccc23)c(OC)c1

InChI: InChI=1S/C23H23N3O4S/c1-4-31(27,28)26-15-9-12-20(22(13-15)30-3)25-23-17-7-5-6-8-19(17)24-21-14-16(29-2)10-11-18(21)23/h5-14,26H,4H2,1-3H3,(H,24,25)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization