Molecule ID: SAMPL8-16

SMILES: CC(C)(C)OC(=O)NCc1nc2ccccc2[nH]1

InChI: InChI=1S/C13H17N3O2/c1-13(2,3)18-12(17)14-8-11-15-9-6-4-5-7-10(9)16-11/h4-7H,8H2,1-3H3,(H,14,17)(H,15,16)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.10 SAMPL8 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization