Molecule ID: mol18580

SMILES: O=C(O)c1cccc(/C=N/NC(=S)NC2CCCCC2)c1O

InChI: InChI=1S/C15H19N3O3S/c19-13-10(5-4-8-12(13)14(20)21)9-16-18-15(22)17-11-6-2-1-3-7-11/h4-5,8-9,11,19H,1-3,6-7H2,(H,20,21)(H2,17,18,22)/b16-9+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization