Molecule ID: mol1829

SMILES: C[C@@H](O)CN(C)CCO

InChI: InChI=1S/C6H15NO2/c1-6(9)5-7(2)3-4-8/h6,8-9H,3-5H2,1-2H3/t6-/m1/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.70 OCHEM 1 » 0
8.70 Hunt 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization