Molecule ID: mol21622

SMILES: Cc1nc2c3c(c(C(=O)N(C)C)cc2n1C)CC[C@@H](c1ccccc1F)O3

InChI: InChI=1S/C21H22FN3O2/c1-12-23-19-17(25(12)4)11-15(21(26)24(2)3)13-9-10-18(27-20(13)19)14-7-5-6-8-16(14)22/h5-8,11,18H,9-10H2,1-4H3/t18-/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization