Molecule ID: mol36936

SMILES: OC[C@H]1O[C@@H](CNC2CCCCC2)[C@H](O)[C@@H](O)[C@H]1O

InChI: InChI=1S/C13H25NO5/c15-7-10-12(17)13(18)11(16)9(19-10)6-14-8-4-2-1-3-5-8/h8-18H,1-7H2/t9-,10+,11-,12-,13+/m0/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.70 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization