Molecule ID: mol19511

SMILES: CO[C@H]1C(=O)N2C(C(=O)c3ccccc3)=C(CSc3nnnn3C)C(Sc3nnnn3C)S(=O)(=O)[C@H]12

InChI: InChI=1S/C19H19N9O5S3/c1-26-18(20-22-24-26)34-9-11-12(13(29)10-7-5-4-6-8-10)28-15(30)14(33-3)16(28)36(31,32)17(11)35-19-21-23-25-27(19)2/h4-8,14,16-17H,9H2,1-3H3/t14-,16+,17?/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.50 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization