Molecule ID: mol15307

SMILES: COc1cc2c(cc1OC)[C@@H]1Cc3ccc(OC)c(O)c3[C@H](C2)N1C

InChI: InChI=1S/C20H23NO4/c1-21-14-7-11-5-6-16(23-2)20(22)19(11)15(21)8-12-9-17(24-3)18(25-4)10-13(12)14/h5-6,9-10,14-15,22H,7-8H2,1-4H3/t14-,15-/m0/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.85 Datawarrior 0 » -1
9.85 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization