Molecule ID: mol18614

SMILES: CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3c(C(N)=O)cccc23)cc1

InChI: InChI=1S/C21H18N4O3S/c1-29(27,28)25-14-11-9-13(10-12-14)23-19-15-5-2-3-8-18(15)24-20-16(19)6-4-7-17(20)21(22)26/h2-12,25H,1H3,(H2,22,26)(H,23,24)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization