Molecule ID: mol20031

SMILES: Nc1cccc(Cn2c(-c3ccccc3)ccc2-c2ccc(C(=O)NC3CCC3)cc2)n1

InChI: InChI=1S/C27H26N4O/c28-26-11-5-10-23(29-26)18-31-24(19-6-2-1-3-7-19)16-17-25(31)20-12-14-21(15-13-20)27(32)30-22-8-4-9-22/h1-3,5-7,10-17,22H,4,8-9,18H2,(H2,28,29)(H,30,32)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization