Molecule ID: mol19277

SMILES: CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2C2=NN(c3ccccc3)[S+]([O-])N2)cc1

InChI: InChI=1S/C30H28N6OS/c1-4-27-32-28-20(2)18-21(3)31-30(28)35(27)19-22-14-16-23(17-15-22)25-12-8-9-13-26(25)29-33-36(38(37)34-29)24-10-6-5-7-11-24/h5-18H,4,19H2,1-3H3,(H,33,34)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization