Molecule ID: mol21516

SMILES: C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCNS(=O)(=O)C(F)(F)F)c1ccccc1

InChI: InChI=1S/C35H42F3N5O6S/c1-34(18-26-19-39-28-10-6-5-9-27(26)28,43-33(46)49-31-24-14-21-13-22(16-24)17-25(31)15-21)32(45)40-20-29(23-7-3-2-4-8-23)42-30(44)11-12-41-50(47,48)35(36,37)38/h2-10,19,21-22,24-25,29,31,39,41H,11-18,20H2,1H3,(H,40,45)(H,42,44)(H,43,46)/t21?,22?,24?,25?,29-,31?,34-/m1/s1

Experimental Macro pKa Values

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