Molecule ID: mol1974

SMILES: C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]c(=O)ccc12

InChI: InChI=1S/C17H16F2N4O2S/c1-9(7-24)20-15-11-5-6-13(25)21-16(11)23-17(22-15)26-8-10-3-2-4-12(18)14(10)19/h2-6,9,24H,7-8H2,1H3,(H2,20,21,22,23,25)/t9-/m1/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization