Molecule ID: mol18672

SMILES: O=C1NC(c2ccccc2)CC(O)=C1Nc1ccccc1Cl

InChI: InChI=1S/C17H15ClN2O2/c18-12-8-4-5-9-13(12)19-16-15(21)10-14(20-17(16)22)11-6-2-1-3-7-11/h1-9,14,19,21H,10H2,(H,20,22)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization