Molecule ID: mol18695

SMILES: O=S(=O)(O)CCc1ccc(Nc2c3ccccc3nc3ccccc23)cc1

InChI: InChI=1S/C21H18N2O3S/c24-27(25,26)14-13-15-9-11-16(12-10-15)22-21-17-5-1-3-7-19(17)23-20-8-4-2-6-18(20)21/h1-12H,13-14H2,(H,22,23)(H,24,25,26)

Experimental Macro pKa Values

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