2,3,4,5-Tetrabromo-6-(3,5-Dibromo-2-Methoxyphenoxy)Phenol
PubChem CID: 11978698
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2,3,4,5-tetrabromo-6-(3,5-dibromo-2-methoxyphenoxy)phenol, CHEMBL374972, SCHEMBL14385526 |
|---|---|
| Topological Polar Surface Area | 38.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 376.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3,4,5-tetrabromo-6-(3,5-dibromo-2-methoxyphenoxy)phenol |
| Prediction Hob | 1.0 |
| Xlogp | 7.2 |
| Molecular Formula | C13H6Br6O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PIKRCPZZFYHEJP-UHFFFAOYSA-N |
| Fcsp3 | 0.0769230769230769 |
| Logs | -8.284 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.928 |
| Compound Name | 2,3,4,5-Tetrabromo-6-(3,5-Dibromo-2-Methoxyphenoxy)Phenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 689.536 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 683.542 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 689.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -8.863530763636364 |
| Inchi | InChI=1S/C13H6Br6O3/c1-21-12-5(15)2-4(14)3-6(12)22-13-10(19)8(17)7(16)9(18)11(13)20/h2-3,20H,1H3 |
| Smiles | COC1=C(C=C(C=C1Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)O |
| 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