Molecule ID: mol1864

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

InChI: InChI=1S/C7H17NO2/c1-3-8(4-5-9)6-7(2)10/h7,9-10H,3-6H2,1-2H3/t7-/m1/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization