Molecule ID: mol19579

SMILES: CC1C2c3ccccc3C(c3ccccc32)C1C(N)=O

InChI: InChI=1S/C18H17NO/c1-10-15-11-6-2-4-8-13(11)17(16(10)18(19)20)14-9-5-3-7-12(14)15/h2-10,15-17H,1H3,(H2,19,20)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-0.89 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization