Molecule ID: mol32053

SMILES: CSC(=N)N/N=C/[C@H]1CC[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

InChI: InChI=1S/C22H37N3O2S/c1-20-9-7-16(26)12-14(20)4-5-18-17(20)8-10-21(2)15(6-11-22(18,21)27)13-24-25-19(23)28-3/h13-18,26-27H,4-12H2,1-3H3,(H2,23,25)/b24-13+/t14-,15-,16+,17+,18-,20+,21-,22+/m1/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization