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2,3,4,5-Tetrabromo-6-(3,5-Dibromo-2-Hydroxyphenoxy)Phenol

PubChem CID: 339231

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Compound Synonyms 2,3,4,5-tetrabromo-6-(3,5-dibromo-2-hydroxyphenoxy)phenol, 80246-27-1, NSC 364753, CHEMBL150098, NSC364753, SCHEMBL14385341, DTXSID00320811, BDBM50135851, NSC-364753, 2,3,4,5-Tetrabromo-6-(3,5-dibromo-2-hydroxy-phenoxy)-phenol, BROMOPHENOL,4,5,6-TETRA-,2-(3,5-DIBROMO-2-HYDROXY-PHENOXY
Topological Polar Surface Area 49.7
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 21.0
Isotope Atom Count 0.0
Molecular Complexity 362.0
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 2,3,4,5-tetrabromo-6-(3,5-dibromo-2-hydroxyphenoxy)phenol
Prediction Hob 1.0
Target Id NPT41, NPT1119, NPT792
Xlogp 6.9
Molecular Formula C12H4Br6O3
Prediction Swissadme 0.0
Inchi Key OMYZFHYKAPRFFQ-UHFFFAOYSA-N
Fcsp3 0.0
Logs -6.251
Rotatable Bond Count 2.0
Logd 2.688
Compound Name 2,3,4,5-Tetrabromo-6-(3,5-Dibromo-2-Hydroxyphenoxy)Phenol
Prediction Hob Swissadme 0.0
Exact Mass 675.52
Formal Charge 0.0
Monoisotopic Mass 669.526
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 675.6
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -8.660184142857144
Inchi InChI=1S/C12H4Br6O3/c13-3-1-4(14)10(19)5(2-3)21-12-9(18)7(16)6(15)8(17)11(12)20/h1-2,19-20H
Smiles C1=C(C=C(C(=C1OC2=C(C(=C(C(=C2Br)Br)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: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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