Molecule ID: mol890

SMILES: CC(C)CN(CC(C)C)CC(C)C

InChI: InChI=1S/C12H27N/c1-10(2)7-13(8-11(3)4)9-12(5)6/h10-12H,7-9H2,1-6H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization