1,2,3,4-Tetrabromo-5-(3,5-dibromo-2-methoxyphenoxy)-6-methoxybenzene
PubChem CID: 23247448
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL148842 |
|---|---|
| Topological Polar Surface Area | 27.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 390.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P15121 |
| Iupac Name | 1,2,3,4-tetrabromo-5-(3,5-dibromo-2-methoxyphenoxy)-6-methoxybenzene |
| Prediction Hob | 1.0 |
| Xlogp | 7.5 |
| Molecular Formula | C14H8Br6O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CNBWUPDUFTVCLE-UHFFFAOYSA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | -4.188 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.807 |
| Compound Name | 1,2,3,4-Tetrabromo-5-(3,5-dibromo-2-methoxyphenoxy)-6-methoxybenzene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 703.551 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 697.557 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 703.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -8.90474875652174 |
| Inchi | InChI=1S/C14H8Br6O3/c1-21-12-6(16)3-5(15)4-7(12)23-14-11(20)9(18)8(17)10(19)13(14)22-2/h3-4H,1-2H3 |
| Smiles | COC1=C(C=C(C=C1Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)OC |
| Nring | 7.0 |
| 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