Molecule ID: mol18139

SMILES: Cc1nc2c3c(c(C(=O)N(C)C)cn2c1C)CCC(c1cccs1)O3

InChI: InChI=1S/C19H21N3O2S/c1-11-12(2)22-10-14(19(23)21(3)4)13-7-8-15(16-6-5-9-25-16)24-17(13)18(22)20-11/h5-6,9-10,15H,7-8H2,1-4H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization