(2R,6S,8S,9S)-2,9-Dibromo-8-Chloro-1,1,9-Trimethyl-5-Methylenespiro[5.5]Undecane
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL521753 | |
| PubChem: | 14239683 | |
| IUPAC: | (4R,6S,9S,10S)-4,9-dibromo-10-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undecane | |
| Standard InChI: | InChI=1S/C15H23Br2Cl/c1-10-5-6-11(16)13(2,3)15(10)8-7-14(4,17)12(18)9-15/h11-12H,1,5-9H2,2-4H3/t11-,12+,14+,15+/m1/s1 | |
| Standard InChI Key: | ZLKDKQRNGQWCDI-DHMWGJHJSA-N | |
| SMILES: | C=C1CC[C@H](C([C@@]21CC[C@]([C@H](C2)Cl)(C)Br)(C)C)Br | |
Molecular propeties
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| AlogP: | 6.06 | |
|---|---|---|
| Hydrogen bonds acceptors: | 0 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 2 | |
| Molecular Weight: | 395.99 | |
| Topological polar surface area: | 0 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.867 | |
| Number of carbons: | 16 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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