Molecule ID: mol578

SMILES: C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]c(=O)cnc12

InChI: InChI=1S/C16H15F2N5O2S/c1-8(6-24)20-14-13-15(21-11(25)5-19-13)23-16(22-14)26-7-9-3-2-4-10(17)12(9)18/h2-5,8,24H,6-7H2,1H3,(H2,20,21,22,23,25)/t8-/m1/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization