Molecule ID: mol21152

SMILES: COc1cc2c(cc1OC)-c1c(-c3cccnc3)ncn1CC2

InChI: InChI=1S/C18H17N3O2/c1-22-15-8-12-5-7-21-11-20-17(13-4-3-6-19-10-13)18(21)14(12)9-16(15)23-2/h3-4,6,8-11H,5,7H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization