1-Bromo-6-fluoro-3,4-dihydrophenanthrene
PubChem CID: 11346449
Connections displayed (default: 10).
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| Compound Synonyms | AKOS015963696 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 299.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-bromo-6-fluoro-3,4-dihydrophenanthrene |
| Prediction Hob | 1.0 |
| Xlogp | 4.8 |
| Molecular Formula | C14H10BrF |
| Prediction Swissadme | 0.0 |
| Inchi Key | HWZBIMIZGCIUHM-UHFFFAOYSA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | -6.776 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.075 |
| Compound Name | 1-Bromo-6-fluoro-3,4-dihydrophenanthrene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 275.995 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 275.995 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 277.13 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.0258432 |
| Inchi | InChI=1S/C14H10BrF/c15-14-3-1-2-11-12(14)7-5-9-4-6-10(16)8-13(9)11/h3-8H,1-2H2 |
| Smiles | C1CC2=C(C=CC3=C2C=C(C=C3)F)C(=C1)Br |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Clematis Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Conocephalum Conicum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Ephedra Sinica (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Trichosanthes Kirilowii (Plant) Rel Props:Source_db:cmaup_ingredients