Molecule ID: mol25144

SMILES: CC1(C)OCC(C(=O)c2ccccc2)N1C(=O)c1cccnc1

InChI: InChI=1S/C18H18N2O3/c1-18(2)20(17(22)14-9-6-10-19-11-14)15(12-23-18)16(21)13-7-4-3-5-8-13/h3-11,15H,12H2,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.92 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization