Molecule ID: mol18579

SMILES: Cc1ccc(/C=N/NC(=S)NC2CCCCC2)c(C(=O)O)c1O

InChI: InChI=1S/C16H21N3O3S/c1-10-7-8-11(13(14(10)20)15(21)22)9-17-19-16(23)18-12-5-3-2-4-6-12/h7-9,12,20H,2-6H2,1H3,(H,21,22)(H2,18,19,23)/b17-9+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization