Identifiers & Physical Properties
| CAS No. | 6033-62-1 |
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| Molecular formula | C18H20N2O2 |
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| Average molar mass | 296.4 g/mol |
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| Monoisotopic mass | 296.15247789 g/mol |
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| SMILES | CCCn1c(C(O)c2cccc(OC)c2)nc2ccccc21 |
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| InChIKey | YLLYEDXFZYPVQE-UHFFFAOYSA-N |
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| PubChem CID | 2881131 |
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| ChEMBL | CHEMBL1865845 |
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| DTXSID | DTXSID50387111 |
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Chemical & Physical Properties
| XLogP | 3.1 |
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| Topological polar surface area | 47.3 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 3 |
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| Rotatable bonds | 5 |
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| Heavy atoms | 22 |
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| Formal charge | 0 |
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| Complexity | 352 |
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| Solubility | 39.4 [ug/mL] (The mean of the results at pH 7.4) |
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