Molecule ID: mol401

SMILES: Cc1ccc(-n2ncc(C(=O)Nc3nccs3)c2C2CCNCC2)cc1C

InChI: InChI=1S/C20H23N5OS/c1-13-3-4-16(11-14(13)2)25-18(15-5-7-21-8-6-15)17(12-23-25)19(26)24-20-22-9-10-27-20/h3-4,9-12,15,21H,5-8H2,1-2H3,(H,22,24,26)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization