2,4-Dibromo-6-(2,3,4-tribromo-6-methoxyphenoxy)phenol
PubChem CID: 11410931
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL220286 |
|---|---|
| Topological Polar Surface Area | 38.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 348.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,4-dibromo-6-(2,3,4-tribromo-6-methoxyphenoxy)phenol |
| Prediction Hob | 1.0 |
| Xlogp | 6.5 |
| Molecular Formula | C13H7Br5O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SVUMJBJGTXAECH-UHFFFAOYSA-N |
| Fcsp3 | 0.0769230769230769 |
| Logs | -7.868 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.997 |
| Compound Name | 2,4-Dibromo-6-(2,3,4-tribromo-6-methoxyphenoxy)phenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 609.627 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 605.631 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 610.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.958896342857142 |
| Inchi | InChI=1S/C13H7Br5O3/c1-20-9-4-6(15)10(17)11(18)13(9)21-8-3-5(14)2-7(16)12(8)19/h2-4,19H,1H3 |
| Smiles | COC1=CC(=C(C(=C1OC2=C(C(=CC(=C2)Br)Br)O)Br)Br)Br |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Achillea Leptophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Alibertia Macrophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Dioscorea Futschauensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Dorstenia Barnimiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Oxybasis Urbica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Rubia Ustulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Sedum Forsterianum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Uvaria Mocoli (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Verbascum Georgicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Viguiera Cordifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Zieria Chevalieri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all