3,6-Dibromo-2-(3,5-Dibromo-2-Hydroxyphenoxy)Phenol
PubChem CID: 16115952
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| Compound Synonyms | 3,6-Dibromo-2-(3,5-dibromo-2-hydroxyphenoxy)phenol, CHEMBL374039, 2,5-dibromo-6-(3',5' -dibromo-2' -hydroxyphenoxy)phenol |
|---|---|
| Topological Polar Surface Area | 49.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 307.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,6-dibromo-2-(3,5-dibromo-2-hydroxyphenoxy)phenol |
| Prediction Hob | 1.0 |
| Xlogp | 5.5 |
| Molecular Formula | C12H6Br4O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SFRUBLKYXLNPMS-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -4.859 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.57 |
| Compound Name | 3,6-Dibromo-2-(3,5-Dibromo-2-Hydroxyphenoxy)Phenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 517.701 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 513.705 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 517.789 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.8569850210526315 |
| Inchi | InChI=1S/C12H6Br4O3/c13-5-3-8(16)10(17)9(4-5)19-12-7(15)2-1-6(14)11(12)18/h1-4,17-18H |
| Smiles | C1=CC(=C(C(=C1Br)O)OC2=C(C(=CC(=C2)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