Molecule ID: mol17295

SMILES: C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]ncc12

InChI: InChI=1S/C15H15F2N5OS/c1-8(6-23)19-13-10-5-18-22-14(10)21-15(20-13)24-7-9-3-2-4-11(16)12(9)17/h2-5,8,23H,6-7H2,1H3,(H2,18,19,20,21,22)/t8-/m1/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization