Molecule ID: mol20576

SMILES: COc1cccc(C(=O)NCCN2CCN(c3ncccc3C#N)CC2)c1

InChI: InChI=1S/C20H23N5O2/c1-27-18-6-2-4-16(14-18)20(26)23-8-9-24-10-12-25(13-11-24)19-17(15-21)5-3-7-22-19/h2-7,14H,8-13H2,1H3,(H,23,26)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization