Molecule ID: mol18666

SMILES: O=C1NC(c2ccccc2)CC(O)=C1Sc1ccccc1Cl

InChI: InChI=1S/C17H14ClNO2S/c18-12-8-4-5-9-15(12)22-16-14(20)10-13(19-17(16)21)11-6-2-1-3-7-11/h1-9,13,20H,10H2,(H,19,21)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization