Molecule ID: mol16243

SMILES: Cc1ccc(-c2cc3c(CCP(=O)(O)O)ncnc3s2)cc1

InChI: InChI=1S/C15H15N2O3PS/c1-10-2-4-11(5-3-10)14-8-12-13(6-7-21(18,19)20)16-9-17-15(12)22-14/h2-5,8-9H,6-7H2,1H3,(H2,18,19,20)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.70 Baltruschat ChEMBL -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization