Molecule ID: mol25662

SMILES: Cc1ncc(C[n+]2c(C(O)c3ccccc3)sc(CCO)c2C)c(O)n1

InChI: InChI=1S/C19H21N3O3S/c1-12-16(8-9-23)26-19(17(24)14-6-4-3-5-7-14)22(12)11-15-10-20-13(2)21-18(15)25/h3-7,10,17,23-24H,8-9,11H2,1-2H3/p+1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
15.00 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization