Molecule ID: mol2388

SMILES: CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1N

InChI: InChI=1S/C10H21N/c1-7(2)9-5-4-8(3)6-10(9)11/h7-10H,4-6,11H2,1-3H3/t8-,9+,10+/m1/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
10.35 OCHEM 1 » 0
10.35 Hunt 1 » 0
10.52 Datawarrior 1 » 0
10.52 AttenGpKa training set 1 » 0
10.52 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization