Molecule ID: mol945

SMILES: CCCCC[C@H](O)C(C)(C)N

InChI: InChI=1S/C9H21NO/c1-4-5-6-7-8(11)9(2,3)10/h8,11H,4-7,10H2,1-3H3/t8-/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization