Pentabromo-2-hydroxy-diphenyl ether
PubChem CID: 14636503
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL463749, pentabromo-2-hydroxy-diphenyl ether |
|---|---|
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 306.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3,4,5-tetrabromo-6-(2-bromophenoxy)phenol |
| Prediction Hob | 1.0 |
| Xlogp | 6.6 |
| Molecular Formula | C12H5Br5O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BOKPHTBEQUIUOX-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -7.725 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.277 |
| Compound Name | Pentabromo-2-hydroxy-diphenyl ether |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 579.617 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 575.621 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 580.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.902146421052632 |
| Inchi | InChI=1S/C12H5Br5O2/c13-5-3-1-2-4-6(5)19-12-10(17)8(15)7(14)9(16)11(12)18/h1-4,18H |
| Smiles | C1=CC=C(C(=C1)OC2=C(C(=C(C(=C2Br)Br)Br)Br)O)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