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2,6-dihydroxy-5-(3-methylbut-2-enyl)-9H-carbazole-3-carbaldehyde

PubChem CID: 71623801

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Topological Polar Surface Area 73.3
Hydrogen Bond Donor Count 3.0
Heavy Atom Count 22.0
Isotope Atom Count 0.0
Molecular Complexity 446.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 2,6-dihydroxy-5-(3-methylbut-2-enyl)-9H-carbazole-3-carbaldehyde
Prediction Hob 1.0
Xlogp 4.6
Molecular Formula C18H17NO3
Prediction Swissadme 0.0
Inchi Key KQGVMMURIUNLDR-UHFFFAOYSA-N
Fcsp3 0.1666666666666666
Logs -3.79
Rotatable Bond Count 3.0
Logd 3.4
Compound Name 2,6-dihydroxy-5-(3-methylbut-2-enyl)-9H-carbazole-3-carbaldehyde
Prediction Hob Swissadme 0.0
Exact Mass 295.121
Formal Charge 0.0
Monoisotopic Mass 295.121
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 295.3
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -4.820968327272727
Inchi InChI=1S/C18H17NO3/c1-10(2)3-4-12-16(21)6-5-14-18(12)13-7-11(9-20)17(22)8-15(13)19-14/h3,5-9,19,21-22H,4H2,1-2H3
Smiles CC(=CCC1=C(C=CC2=C1C3=C(N2)C=C(C(=C3)C=O)O)O)C
Nring 3.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Bulbine Asphodeloides (Plant) Rel Props:Source_db:cmaup_ingredients
  • 2. Outgoing r'ship FOUND_IN to/from Cicer Cuneatum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 3. Outgoing r'ship FOUND_IN to/from Croton Hutchinsonianus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 4. Outgoing r'ship FOUND_IN to/from Delphinium Speciosum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 5. Outgoing r'ship FOUND_IN to/from Griselinia Scandens (Plant) Rel Props:Source_db:cmaup_ingredients
  • 6. Outgoing r'ship FOUND_IN to/from Gutenbergia Marginata (Plant) Rel Props:Source_db:cmaup_ingredients
  • 7. Outgoing r'ship FOUND_IN to/from Helicia Erratica (Plant) Rel Props:Source_db:cmaup_ingredients
  • 8. Outgoing r'ship FOUND_IN to/from Hyptis Urticoides (Plant) Rel Props:Source_db:cmaup_ingredients
  • 9. Outgoing r'ship FOUND_IN to/from Ipomoea Carnea (Plant) Rel Props:Source_db:cmaup_ingredients
  • 10. Outgoing r'ship FOUND_IN to/from Iris Sanguinea (Plant) Rel Props:Source_db:cmaup_ingredients
  • 11. Outgoing r'ship FOUND_IN to/from Monachosorum Maximowiczii (Plant) Rel Props:Source_db:cmaup_ingredients
  • 12. Outgoing r'ship FOUND_IN to/from Nardia Scalaris (Plant) Rel Props:Source_db:cmaup_ingredients
  • 13. Outgoing r'ship FOUND_IN to/from Otholobium Pubescens (Plant) Rel Props:Source_db:cmaup_ingredients
  • 14. Outgoing r'ship FOUND_IN to/from Podocalyx Loranthoides (Plant) Rel Props:Source_db:cmaup_ingredients
  • 15. Outgoing r'ship FOUND_IN to/from Populus Candicans (Plant) Rel Props:Source_db:cmaup_ingredients
  • 16. Outgoing r'ship FOUND_IN to/from Rhododendron Edgeworthii (Plant) Rel Props:Source_db:cmaup_ingredients
  • 17. Outgoing r'ship FOUND_IN to/from Sarcophyton Infundibuliforme (Plant) Rel Props:Source_db:cmaup_ingredients
  • 18. Outgoing r'ship FOUND_IN to/from Trixis Grisebachii (Plant) Rel Props:Source_db:cmaup_ingredients
  • 19. Outgoing r'ship FOUND_IN to/from Yucca Elata (Plant) Rel Props:Source_db:cmaup_ingredients
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