Molecule ID: mol14654

SMILES: C=C[C@]1(O)CN2CC[C@H]1C[C@H]2[C@H](O)c1cc(=O)[nH]c2ccccc12

InChI: InChI=1S/C19H22N2O3/c1-2-19(24)11-21-8-7-12(19)9-16(21)18(23)14-10-17(22)20-15-6-4-3-5-13(14)15/h2-6,10,12,16,18,23-24H,1,7-9,11H2,(H,20,22)/t12-,16-,18+,19-/m0/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.76 Datawarrior 2 » 1
7.65 Datawarrior 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization