Molecule ID: mol24353

SMILES: CCN(CC)[C@@H](C)[C@@H](C)NC(=O)c1ccccc1C

InChI: InChI=1S/C16H26N2O/c1-6-18(7-2)14(5)13(4)17-16(19)15-11-9-8-10-12(15)3/h8-11,13-14H,6-7H2,1-5H3,(H,17,19)/t13-,14+/m1/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization