1,2,3-Tribromo-4-(3,5-dibromo-2-methoxyphenoxy)-5-methoxybenzene
PubChem CID: 21637537
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL150603 |
|---|---|
| Topological Polar Surface Area | 27.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 361.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P15121, n.a. |
| Iupac Name | 1,2,3-tribromo-4-(3,5-dibromo-2-methoxyphenoxy)-5-methoxybenzene |
| Prediction Hob | 1.0 |
| Xlogp | 6.8 |
| Molecular Formula | C14H9Br5O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MXPHINKLSXPVGO-UHFFFAOYSA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | -8.544 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.493 |
| Compound Name | 1,2,3-Tribromo-4-(3,5-dibromo-2-methoxyphenoxy)-5-methoxybenzene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 623.643 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 619.647 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 624.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -8.168542963636362 |
| Inchi | InChI=1S/C14H9Br5O3/c1-20-9-5-7(16)11(18)12(19)14(9)22-10-4-6(15)3-8(17)13(10)21-2/h3-5H,1-2H3 |
| Smiles | COC1=CC(=C(C(=C1OC2=C(C(=CC(=C2)Br)Br)OC)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