Identifiers & Physical Properties
| CAS No. | 314053-83-3 |
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| Molecular formula | C14H13Cl2N3O2 |
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| Average molar mass | 326.2 g/mol |
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| Monoisotopic mass | 325.0384821 g/mol |
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| SMILES | O=C(CCCOc1ccc(Cl)cc1Cl)Nc1ncccn1 |
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| InChIKey | NXTLSXDRGJETNY-UHFFFAOYSA-N |
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| PubChem CID | 2244635 |
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| ChEMBL | CHEMBL1329407 |
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| DTXSID | DTXSID401330347 |
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Chemical & Physical Properties
| XLogP | 3.5 |
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| Topological polar surface area | 64.1 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 6 |
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| Heavy atoms | 21 |
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| Formal charge | 0 |
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| Complexity | 327 |
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| Solubility | 7.7 [ug/mL] (The mean of the results at pH 7.4) |
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