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(1Z,3E)-1,4-diaminobuta-1,3-diene-1,4-diolate

PubChem CID: 53338995

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Topological Polar Surface Area 98.2
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 8.0
Isotope Atom Count 0.0
Molecular Complexity 112.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name (1Z,3E)-1,4-diaminobuta-1,3-diene-1,4-diolate
Prediction Hob 1.0
Xlogp 0.8
Molecular Formula C4H6N2O2-2
Prediction Swissadme 0.0
Inchi Key GBGBFESMVVCWBU-HSFFGMMNSA-L
Fcsp3 0.0
Logs -0.737
Rotatable Bond Count 1.0
Logd -1.171
Compound Name (1Z,3E)-1,4-diaminobuta-1,3-diene-1,4-diolate
Prediction Hob Swissadme 0.0
Exact Mass 114.043
Formal Charge -2.0
Monoisotopic Mass 114.043
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 114.1
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 2.0
Esol -0.16014479999999992
Inchi InChI=1S/C4H8N2O2/c5-3(7)1-2-4(6)8/h1-2,7-8H,5-6H2/p-2/b3-1-,4-2+
Smiles C(=C(\N)/[O-])\C=C(\N)/[O-]
Nring 0.0
Defined Bond Stereocenter Count 2.0

  • 1. Outgoing r'ship FOUND_IN to/from Annona Squamosa (Plant) Rel Props:Source_db:cmaup_ingredients
  • 2. Outgoing r'ship FOUND_IN to/from Chaenomeles Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 3. Outgoing r'ship FOUND_IN to/from Changium Smyrnioides (Plant) Rel Props:Source_db:cmaup_ingredients
  • 4. Outgoing r'ship FOUND_IN to/from Cirsium Setosum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 5. Outgoing r'ship FOUND_IN to/from Cistanche Deserticola (Plant) Rel Props:Source_db:cmaup_ingredients
  • 6. Outgoing r'ship FOUND_IN to/from Citrus Wilsonii (Plant) Rel Props:Source_db:cmaup_ingredients
  • 7. Outgoing r'ship FOUND_IN to/from Cynanchum Thesioides (Plant) Rel Props:Source_db:cmaup_ingredients
  • 8. Outgoing r'ship FOUND_IN to/from Diospyros Kaki (Plant) Rel Props:Source_db:cmaup_ingredients
  • 9. Outgoing r'ship FOUND_IN to/from Levisticum Officinale (Plant) Rel Props:Source_db:cmaup_ingredients
  • 10. Outgoing r'ship FOUND_IN to/from Lygodium Japonicum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 11. Outgoing r'ship FOUND_IN to/from Marsdenia Tenacissima (Plant) Rel Props:Source_db:cmaup_ingredients
  • 12. Outgoing r'ship FOUND_IN to/from Pyrus Communis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 13. Outgoing r'ship FOUND_IN to/from Rauvolfia Verticillata (Plant) Rel Props:Source_db:cmaup_ingredients
  • 14. Outgoing r'ship FOUND_IN to/from Rosa Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 15. Outgoing r'ship FOUND_IN to/from Salvia Miltiorrhiza (Plant) Rel Props:Source_db:cmaup_ingredients
  • 16. Outgoing r'ship FOUND_IN to/from Saussurea Laniceps (Plant) Rel Props:Source_db:cmaup_ingredients
  • 17. Outgoing r'ship FOUND_IN to/from Schizonepeta Tenuifolia (Plant) Rel Props:Source_db:cmaup_ingredients
  • 18. Outgoing r'ship FOUND_IN to/from Smilax Glabra (Plant) Rel Props:Source_db:cmaup_ingredients
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