3,4-Dibromo-2-(5-Bromo-2-Hydroxyphenoxy)Phenol
PubChem CID: 44396194
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL187472, 3,4-Dibromo-2-(5-bromo-2-hydroxy-phenoxy)-phenol, BDBM50150781, PD181098, 3,4-dibromo-2-(5-bromo-2-hydroxyphenoxy)phenol |
|---|---|
| Topological Polar Surface Area | 49.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 279.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P18054, P16050 |
| Iupac Name | 3,4-dibromo-2-(5-bromo-2-hydroxyphenoxy)phenol |
| Prediction Hob | 1.0 |
| Target Id | NPT1119, NPT792 |
| Xlogp | 4.8 |
| Molecular Formula | C12H7Br3O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MQTQEJZMDKSDNZ-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -4.996 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.208 |
| Compound Name | 3,4-Dibromo-2-(5-Bromo-2-Hydroxyphenoxy)Phenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 437.792 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 435.795 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 438.89 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.851994733333334 |
| Inchi | InChI=1S/C12H7Br3O3/c13-6-1-3-8(16)10(5-6)18-12-9(17)4-2-7(14)11(12)15/h1-5,16-17H |
| Smiles | C1=CC(=C(C=C1Br)OC2=C(C=CC(=C2Br)Br)O)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