Molecule ID: mol18692

SMILES: NC(=O)CCc1ccc(Nc2c3ccccc3nc3ccccc23)cc1

InChI: InChI=1S/C22H19N3O/c23-21(26)14-11-15-9-12-16(13-10-15)24-22-17-5-1-3-7-19(17)25-20-8-4-2-6-18(20)22/h1-10,12-13H,11,14H2,(H2,23,26)(H,24,25)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization