Molecule ID: mol18943

SMILES: COC[n+]1c(/C=N/O)n(C)c2ccccc21

InChI: InChI=1S/C11H13N3O2/c1-13-9-5-3-4-6-10(9)14(8-16-2)11(13)7-12-15/h3-7H,8H2,1-2H3/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization