Molecule ID: mol24892

SMILES: C[N+]1(O)C2CCC1CC(OC(=O)c1ccccc1)C2

InChI: InChI=1S/C15H20NO3/c1-16(18)12-7-8-13(16)10-14(9-12)19-15(17)11-5-3-2-4-6-11/h2-6,12-14,18H,7-10H2,1H3/q+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization