Molecule ID: mol2845

SMILES: COc1cc2c(cc1OC)CN(c1cc(N)c3cc(OC)c(OC)cc3n1)CC2

InChI: InChI=1S/C22H25N3O4/c1-26-18-7-13-5-6-25(12-14(13)8-19(18)27-2)22-10-16(23)15-9-20(28-3)21(29-4)11-17(15)24-22/h7-11H,5-6,12H2,1-4H3,(H2,23,24)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.90 Novartis 1 » 0
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Charge States and Microspecies Visualization