Molecule ID: mol29909

SMILES: CC(=O)OC[C@@H](C(=O)OC1CC2C3OC3C(C1)N2C)c1ccccc1

InChI: InChI=1S/C19H23NO5/c1-11(21)23-10-14(12-6-4-3-5-7-12)19(22)24-13-8-15-17-18(25-17)16(9-13)20(15)2/h3-7,13-18H,8-10H2,1-2H3/t13?,14-,15?,16?,17?,18?/m1/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization