Molecule ID: mol422

SMILES: COc1cc(CN2CCC3(C=Cc4ccccc43)CC2)cc(OC)c1OC

InChI: InChI=1S/C23H27NO3/c1-25-20-14-17(15-21(26-2)22(20)27-3)16-24-12-10-23(11-13-24)9-8-18-6-4-5-7-19(18)23/h4-9,14-15H,10-13,16H2,1-3H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.40 OCHEM 1 » 0
8.40 AvLiLuMoVe 1 » 0
8.40 Settimo 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization