Molecule ID: mol16837

SMILES: COCCN1CCCC(Cn2c(-c3cccnc3C)nc3cn(-c4ccc(C#N)cc4)nc3c2=O)C1

InChI: InChI=1S/C27H29N7O2/c1-19-23(6-3-11-29-19)26-30-24-18-34(22-9-7-20(15-28)8-10-22)31-25(24)27(35)33(26)17-21-5-4-12-32(16-21)13-14-36-2/h3,6-11,18,21H,4-5,12-14,16-17H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization