Molecule ID: mol18936

SMILES: CCC(C)C(C)OC[n+]1ccn(C)c1/C=N/O

InChI: InChI=1S/C12H21N3O2/c1-5-10(2)11(3)17-9-15-7-6-14(4)12(15)8-13-16/h6-8,10-11H,5,9H2,1-4H3/p+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
7.97 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization