Molecule ID: mol20243

SMILES: Cc1c(-c2noc(-c3ccc(OC(C)C)c(C#N)c3)n2)ccc2c1CCN(C[C@@H](O)CO)CC2

InChI: InChI=1S/C26H30N4O4/c1-16(2)33-24-7-5-19(12-20(24)13-27)26-28-25(29-34-26)23-6-4-18-8-10-30(14-21(32)15-31)11-9-22(18)17(23)3/h4-7,12,16,21,31-32H,8-11,14-15H2,1-3H3/t21-/m1/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization