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(5R)-2-imino-5-(1H-indol-3-ylmethyl)-1,3-oxazolidin-4-one

PubChem CID: 163046974

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Prediction Swissadme 0.0
Topological Polar Surface Area 78.0
Hydrogen Bond Donor Count 3.0
Inchi Key FGTZCVGIFPOOSE-SNVBAGLBSA-N
Fcsp3 0.1666666666666666
Rotatable Bond Count 2.0
Heavy Atom Count 17.0
Compound Name (5R)-2-imino-5-(1H-indol-3-ylmethyl)-1,3-oxazolidin-4-one
Prediction Hob Swissadme 0.0
Exact Mass 229.085
Formal Charge 0.0
Monoisotopic Mass 229.085
Isotope Atom Count 0.0
Molecular Complexity 345.0
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 229.23
Database Name cmaup_ingredients;pubchem
Covalent Unit Count 1.0
Defined Atom Stereocenter Count 1.0
Iupac Name (5R)-2-imino-5-(1H-indol-3-ylmethyl)-1,3-oxazolidin-4-one
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Prediction Hob 1.0
Esol -2.818846505882353
Inchi InChI=1S/C12H11N3O2/c13-12-15-11(16)10(17-12)5-7-6-14-9-4-2-1-3-8(7)9/h1-4,6,10,14H,5H2,(H2,13,15,16)/t10-/m1/s1
Smiles C1=CC=C2C(=C1)C(=CN2)C[C@@H]3C(=O)NC(=N)O3
Xlogp 1.7
Defined Bond Stereocenter Count 0.0
Molecular Formula C12H11N3O2

  • 1. Outgoing r'ship FOUND_IN to/from Aglaia Gigantea (Plant) Rel Props:Source_db:cmaup_ingredients
  • 2. Outgoing r'ship FOUND_IN to/from Andropogon Nardus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 3. Outgoing r'ship FOUND_IN to/from Clibadium Pentaneuron (Plant) Rel Props:Source_db:cmaup_ingredients
  • 4. Outgoing r'ship FOUND_IN to/from Croton Californicus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 5. Outgoing r'ship FOUND_IN to/from Croton Sparsiflorus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 6. Outgoing r'ship FOUND_IN to/from Culcitium Canescens (Plant) Rel Props:Source_db:cmaup_ingredients
  • 7. Outgoing r'ship FOUND_IN to/from Dendrobium Rotundatum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 8. Outgoing r'ship FOUND_IN to/from Eriostemon Fitzgeraldii (Plant) Rel Props:Source_db:cmaup_ingredients
  • 9. Outgoing r'ship FOUND_IN to/from Espeletia Marcana (Plant) Rel Props:Source_db:cmaup_ingredients
  • 10. Outgoing r'ship FOUND_IN to/from Malva Crispa (Plant) Rel Props:Source_db:cmaup_ingredients
  • 11. Outgoing r'ship FOUND_IN to/from Neoalsomitra Integrifolia (Plant) Rel Props:Source_db:cmaup_ingredients
  • 12. Outgoing r'ship FOUND_IN to/from Nolina Erumpens (Plant) Rel Props:Source_db:cmaup_ingredients
  • 13. Outgoing r'ship FOUND_IN to/from Petasites Niveus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 14. Outgoing r'ship FOUND_IN to/from Picrorhiza Kurrooa (Plant) Rel Props:Source_db:cmaup_ingredients
  • 15. Outgoing r'ship FOUND_IN to/from Piptolepis Leptospermoides (Plant) Rel Props:Source_db:cmaup_ingredients
  • 16. Outgoing r'ship FOUND_IN to/from Ratibida Latipalearis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 17. Outgoing r'ship FOUND_IN to/from Solanum Toxicarium (Plant) Rel Props:Source_db:cmaup_ingredients
  • 18. Outgoing r'ship FOUND_IN to/from Toxicodendron Succedaneum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 19. Outgoing r'ship FOUND_IN to/from Weddellina Squamulosa (Plant) Rel Props:Source_db:cmaup_ingredients
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