Molecule ID: mol16197

SMILES: CC1=C(C(=O)O)N[C@@H](C2NC(=O)C(c3ccccc3)N=C2S)SC1

InChI: InChI=1S/C16H17N3O3S2/c1-8-7-24-15(19-10(8)16(21)22)12-14(23)18-11(13(20)17-12)9-5-3-2-4-6-9/h2-6,11-12,15,19H,7H2,1H3,(H,17,20)(H,18,23)(H,21,22)/t11?,12?,15-/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
10.10 Baltruschat ChEMBL -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization