Molecule ID: mol31041

SMILES: Oc1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1

InChI: InChI=1S/C41H29NO/c43-41-37(31-18-8-2-9-19-31)28-36(29-38(41)32-20-10-3-11-21-32)42-39(33-22-12-4-13-23-33)26-35(30-16-6-1-7-17-30)27-40(42)34-24-14-5-15-25-34/h1-29H/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization