Molecule ID: mol17257

SMILES: COc1cc2c(Nc3c(Cl)ccc4c3OCO4)ncnc2cc1OCc1ccnc(C#N)c1

InChI: InChI=1S/C23H16ClN5O4/c1-30-19-7-15-17(8-20(19)31-10-13-4-5-26-14(6-13)9-25)27-11-28-23(15)29-21-16(24)2-3-18-22(21)33-12-32-18/h2-8,11H,10,12H2,1H3,(H,27,28,29)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization