Molecule ID: mol17296

SMILES: C[C@H](CO)Nc1nc(SCc2ccccc2)nc2[nH]c(=O)[nH]c12

InChI: InChI=1S/C15H17N5O2S/c1-9(7-21)16-12-11-13(18-14(22)17-11)20-15(19-12)23-8-10-5-3-2-4-6-10/h2-6,9,21H,7-8H2,1H3,(H3,16,17,18,19,20,22)/t9-/m1/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization