Molecule ID: mol16450

SMILES: Cc1c2c3cc(NC(=O)CNC(=O)[C@@H]4CCCN4)ccc3nc-2n(C)c2ccccc12

InChI: InChI=1S/C24H25N5O2/c1-14-16-6-3-4-8-20(16)29(2)23-22(14)17-12-15(9-10-18(17)28-23)27-21(30)13-26-24(31)19-7-5-11-25-19/h3-4,6,8-10,12,19,25H,5,7,11,13H2,1-2H3,(H,26,31)(H,27,30)/t19-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.30 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization