Molecule ID: mol29701

SMILES: O=C1CCC[C@@H]2[C@H]3CCC[N+]4(O)CCC[C@@H](CN12)[C@@H]34

InChI: InChI=1S/C15H25N2O2/c18-14-7-1-6-13-12-5-3-9-17(19)8-2-4-11(15(12)17)10-16(13)14/h11-13,15,19H,1-10H2/q+1/t11-,12+,13+,15-,17?/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization