Molecule ID: mol24184

SMILES: COc1cc(N)c2c(c1OC)[C@]13CCN(C)[C@H](C2)[C@@H]1C=C[C@H](O)C3

InChI: InChI=1S/C19H26N2O3/c1-21-7-6-19-10-11(22)4-5-13(19)15(21)8-12-14(20)9-16(23-2)18(24-3)17(12)19/h4-5,9,11,13,15,22H,6-8,10,20H2,1-3H3/t11-,13-,15+,19-/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization