Identifiers & Physical Properties
| CAS No. | 852367-38-5 |
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| Molecular formula | C15H16N2O2 |
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| Average molar mass | 256.3 g/mol |
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| Monoisotopic mass | 256.12117776 g/mol |
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| SMILES | O=C(NC1CCCC1)C(=O)c1c[nH]c2ccccc12 |
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| InChIKey | TWMVZOXYFHJJNW-UHFFFAOYSA-N |
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| PubChem CID | 2991908 |
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| ChEMBL | CHEMBL1503495 |
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| DTXSID | DTXSID901329979 |
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Chemical & Physical Properties
| XLogP | 2.9 |
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| Topological polar surface area | 62 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 2 |
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| Rotatable bonds | 3 |
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| Heavy atoms | 19 |
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| Formal charge | 0 |
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| Complexity | 363 |
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| Solubility | 12.1 [ug/mL] (The mean of the results at pH 7.4) |
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