Molecule ID: mol16787

SMILES: Cc1ccc(-c2nn(CCCCCCCCCCCCn3nc(-c4ccc(C)cc4)sc3=N)c(=N)s2)cc1

InChI: InChI=1S/C30H40N6S2/c1-23-13-17-25(18-14-23)27-33-35(29(31)37-27)21-11-9-7-5-3-4-6-8-10-12-22-36-30(32)38-28(34-36)26-19-15-24(2)16-20-26/h13-20,31-32H,3-12,21-22H2,1-2H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.10 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization