Molecule ID: mol17735

SMILES: COc1ccc(-c2nnc(C(=O)N3CC(Oc4ccc(CN(C)C)c(F)c4)C3)o2)cc1

InChI: InChI=1S/C22H23FN4O4/c1-26(2)11-15-6-9-17(10-19(15)23)30-18-12-27(13-18)22(28)21-25-24-20(31-21)14-4-7-16(29-3)8-5-14/h4-10,18H,11-13H2,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization