Identifiers & Physical Properties
| CAS No. | 171506-43-7 |
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| Molecular formula | C13H15Cl2NO |
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| Average molar mass | 272.17 g/mol |
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| Monoisotopic mass | 271.0530695 g/mol |
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| SMILES | Cc1cc(C(=O)NC(C)C2CC2)c(Cl)cc1Cl |
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| InChIKey | IORKMUFUDJDTLF-UHFFFAOYSA-N |
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| PubChem CID | 2829751 |
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| ChEMBL | CHEMBL1534093 |
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| DTXSID | DTXSID001321259 |
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Chemical & Physical Properties
| XLogP | 4 |
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| Topological polar surface area | 29.1 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 1 |
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| Rotatable bonds | 3 |
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| Heavy atoms | 17 |
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| Formal charge | 0 |
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| Complexity | 293 |
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| Solubility | 4.7 [ug/mL] (The mean of the results at pH 7.4) |
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