Identifiers & Physical Properties
| CAS No. | 7101-92-0 |
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| Molecular formula | C16H14N2O2S |
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| Average molar mass | 298.4 g/mol |
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| Monoisotopic mass | 298.07759887 g/mol |
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| SMILES | Cc1ccc(S(=O)(=O)Nc2cnc3ccccc3c2)cc1 |
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| InChIKey | NUNOQWFQZCHJDF-UHFFFAOYSA-N |
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| PubChem CID | 588682 |
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| ChEMBL | CHEMBL1299349 |
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| DTXSID | DTXSID801271747 |
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Chemical & Physical Properties
| XLogP | 3.6 |
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| Topological polar surface area | 67.4 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 3 |
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| Heavy atoms | 21 |
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| Formal charge | 0 |
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| Complexity | 438 |
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| Solubility | >44.8 [ug/mL] (The mean of the results at pH 7.4) |
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