Molecule ID: mol20674

SMILES: NC1=NC2(CCc3ccc(NC(=O)c4ccc(Cl)cn4)cc32)CS1

InChI: InChI=1S/C17H15ClN4OS/c18-11-2-4-14(20-8-11)15(23)21-12-3-1-10-5-6-17(13(10)7-12)9-24-16(19)22-17/h1-4,7-8H,5-6,9H2,(H2,19,22)(H,21,23)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.30 Baltruschat ChEMBL 0 » -1
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Charge States and Microspecies Visualization