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2,3,5-Tribromo-6-(3,5-Dibromo-2-Hydroxyphenoxy)Phenol

PubChem CID: 10348509

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Compound Synonyms 2,3,5-tribromo-6-(3,5-dibromo-2-hydroxyphenoxy)phenol, CHEMBL148503, 80246-26-0, SCHEMBL14385345, DTXSID40438429, BDBM50150788, 2,3,5-Tribromo-6-(3,5-dibromo-2-hydroxy-phenoxy)-phenol
Topological Polar Surface Area 49.7
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 20.0
Isotope Atom Count 0.0
Molecular Complexity 334.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P15121, P18054, P16050, P49915, Q07820, n.a.
Iupac Name 2,3,5-tribromo-6-(3,5-dibromo-2-hydroxyphenoxy)phenol
Prediction Hob 1.0
Target Id NPT1119, NPT792
Xlogp 6.2
Molecular Formula C12H5Br5O3
Prediction Swissadme 0.0
Inchi Key OBMWDTFRQJRRIM-UHFFFAOYSA-N
Fcsp3 0.0
Logs -5.682
Rotatable Bond Count 2.0
Logd 2.614
Compound Name 2,3,5-Tribromo-6-(3,5-Dibromo-2-Hydroxyphenoxy)Phenol
Prediction Hob Swissadme 0.0
Exact Mass 595.611
Formal Charge 0.0
Monoisotopic Mass 591.616
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 596.7
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -7.7574718
Inchi InChI=1S/C12H5Br5O3/c13-4-1-6(15)10(18)8(2-4)20-12-7(16)3-5(14)9(17)11(12)19/h1-3,18-19H
Smiles C1=C(C=C(C(=C1OC2=C(C(=C(C=C2Br)Br)Br)O)O)Br)Br
Nring 2.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Achillea Leptophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Alibertia Macrophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Bombax Ceiba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Crepis Foetida (Plant) Rel Props:Source_db:npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Dioscorea Futschauensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Dorstenia Barnimiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Juniperus Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Monachosorum Henryi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Oxybasis Urbica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Rothia Indica (Plant) Rel Props:Source_db:npass_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Rubia Ustulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Salvia Karabachensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 13. Outgoing r'ship FOUND_IN to/from Sedum Forsterianum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 14. Outgoing r'ship FOUND_IN to/from Uvaria Mocoli (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 15. Outgoing r'ship FOUND_IN to/from Verbascum Georgicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 16. Outgoing r'ship FOUND_IN to/from Viguiera Cordifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 17. Outgoing r'ship FOUND_IN to/from Zieria Chevalieri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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