rel-(8xi)-3,11-dihydroxyestra-1,3,5(10)-trien-17-one
Chemical Structure Depiction of
rel-(8xi)-3,11-dihydroxyestra-1,3,5(10)-trien-17-one
rel-(8xi)-3,11-dihydroxyestra-1,3,5(10)-trien-17-one
Compound characteristics
| Compound ID: | 3529-0032 |
| Compound Name: | rel-(8xi)-3,11-dihydroxyestra-1,3,5(10)-trien-17-one |
| Molecular Weight: | 286.37 |
| Molecular Formula: | C18 H22 O3 |
| Smiles: | [H]C12CCc3cc(ccc3[C@@]1([H])[C@H](C[C@]1(C)C(CC[C@]12[H])=O)O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3361 |
| logD: | 2.3359 |
| logSw: | -3.4937 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.847 |
| InChI Key: | IGSYRIQHXYIOHU-ZWWDLXKHSA-N |