HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 67006405Generated: November 2, 2026
4a-(4-Chloro-benzenesulfonyl)-5,8-difluoro-2,3,4,4a,10,10a-hexahydro-1H-9-oxa-1-aza-phenanthrene
https://huagongshe.com/en/chemical/67006405
Identifiers & Physical Properties
| Molecular formula | C18H16ClF2NO3S |
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| Average molar mass | 399.8 g/mol |
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| Monoisotopic mass | 399.0507486 g/mol |
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| SMILES | O=S(=O)(c1ccc(Cl)cc1)C12CCCNC1COc1c(F)ccc(F)c12 |
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| InChIKey | NNBDXZJGOPRHDA-UHFFFAOYSA-N |
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| PubChem CID | 67006405 |
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Chemical & Physical Properties
| XLogP | 3.2 |
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| Topological polar surface area | 63.8 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 6 |
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| Rotatable bonds | 2 |
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| Heavy atoms | 26 |
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| Formal charge | 0 |
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| Complexity | 622 |
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