Identifiers & Physical Properties
| CAS No. | 95204-39-0 |
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| Molecular formula | C17H11NO3 |
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| Average molar mass | 277.27 g/mol |
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| Monoisotopic mass | 277.07389321 g/mol |
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| SMILES | O=C(c1ccccc1)c1ccccc1N1C(=O)C=CC1=O |
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| InChIKey | OENCJIAWGLCCKK-UHFFFAOYSA-N |
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| PubChem CID | 2731237 |
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| ChEMBL | CHEMBL1361913 |
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| DTXSID | DTXSID80369687 |
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Chemical & Physical Properties
| XLogP | 2.4 |
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| Topological polar surface area | 54.5 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 3 |
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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 | 458 |
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| Solubility | >41.6 [ug/mL] (The mean of the results at pH 7.4) |
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