Molecule ID: mol18534

SMILES: NC1=NC2CCC(NC(=O)c3cccc(Cl)c3)CC2CS1

InChI: InChI=1S/C15H18ClN3OS/c16-11-3-1-2-9(6-11)14(20)18-12-4-5-13-10(7-12)8-21-15(17)19-13/h1-3,6,10,12-13H,4-5,7-8H2,(H2,17,19)(H,18,20)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization