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2-[(Carboxymethyl)amino]-4-chlorobenzoic acid

PubChem CID: 11107141

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Compound Synonyms 99282-79-8, 2-((Carboxymethyl)amino)-4-chlorobenzoic acid, 2-[(carboxymethyl)amino]-4-chlorobenzoic acid, 2-(carboxymethylamino)-4-chlorobenzoic acid, DTXSID70455462, 2-(CARBOXYMETHYL-AMINO)-4-CHLORO-BENZOIC ACID, SCHEMBL3236365, DTXCID60406281, UDXGKLGUAJLLCJ-UHFFFAOYSA-N, AKOS015963713, 2-carboxymethylamino-4-chlorobenzoic acid, AC-17987, 2-((Carboxymethyl)amino)-4-chlorobenzoicacid, G80506, 619-416-4
Topological Polar Surface Area 86.6
Hydrogen Bond Donor Count 3.0
Heavy Atom Count 15.0
Isotope Atom Count 0.0
Molecular Complexity 258.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 2-(carboxymethylamino)-4-chlorobenzoic acid
Prediction Hob 1.0
Xlogp 3.6
Molecular Formula C9H8ClNO4
Prediction Swissadme 0.0
Inchi Key UDXGKLGUAJLLCJ-UHFFFAOYSA-N
Fcsp3 0.1111111111111111
Logs -3.186
Rotatable Bond Count 4.0
Logd 3.928
Compound Name 2-[(Carboxymethyl)amino]-4-chlorobenzoic acid
Prediction Hob Swissadme 0.0
Exact Mass 229.014
Formal Charge 0.0
Monoisotopic Mass 229.014
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 229.62
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -2.7383377999999996
Inchi InChI=1S/C9H8ClNO4/c10-5-1-2-6(9(14)15)7(3-5)11-4-8(12)13/h1-3,11H,4H2,(H,12,13)(H,14,15)
Smiles C1=CC(=C(C=C1Cl)NCC(=O)O)C(=O)O
Nring 1.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Anemarrhena Asphodeloides (Plant) Rel Props:Source_db:cmaup_ingredients
  • 2. Outgoing r'ship FOUND_IN to/from Arctium Lappa (Plant) Rel Props:Source_db:cmaup_ingredients
  • 3. Outgoing r'ship FOUND_IN to/from Chaenomeles Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 4. Outgoing r'ship FOUND_IN to/from Citrullus Lanatus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 5. Outgoing r'ship FOUND_IN to/from Cynanchum Aphyllum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 6. Outgoing r'ship FOUND_IN to/from Dalbergia Cochinchinensis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 7. Outgoing r'ship FOUND_IN to/from Dalbergia Spruceana (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 Drynaria Fortunei (Plant) Rel Props:Source_db:cmaup_ingredients
  • 10. Outgoing r'ship FOUND_IN to/from Gentiana Macrophylla (Plant) Rel Props:Source_db:cmaup_ingredients
  • 11. Outgoing r'ship FOUND_IN to/from Humulus Japonicus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 12. Outgoing r'ship FOUND_IN to/from Liquidambar Orientalis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 13. Outgoing r'ship FOUND_IN to/from Litchi Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 14. Outgoing r'ship FOUND_IN to/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients
  • 15. Outgoing r'ship FOUND_IN to/from Paeonia Veitchii (Plant) Rel Props:Source_db:cmaup_ingredients
  • 16. Outgoing r'ship FOUND_IN to/from Polygala Tenuifolia (Plant) Rel Props:Source_db:cmaup_ingredients
  • 17. Outgoing r'ship FOUND_IN to/from Populus Tomentosa (Plant) Rel Props:Source_db:cmaup_ingredients
  • 18. Outgoing r'ship FOUND_IN to/from Prunus Mume (Plant) Rel Props:Source_db:cmaup_ingredients
  • 19. Outgoing r'ship FOUND_IN to/from Prunus Persica (Plant) Rel Props:Source_db:cmaup_ingredients
  • 20. Outgoing r'ship FOUND_IN to/from Rubia Wallichiana (Plant) Rel Props:Source_db:cmaup_ingredients
  • 21. Outgoing r'ship FOUND_IN to/from Sagittaria Sagittifolia (Plant) Rel Props:Source_db:cmaup_ingredients
  • 22. Outgoing r'ship FOUND_IN to/from Scrophularia Ningpoensis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 23. Outgoing r'ship FOUND_IN to/from Styrax Benzoin (Plant) Rel Props:Source_db:cmaup_ingredients
  • 24. Outgoing r'ship FOUND_IN to/from Terminalia Chebula (Plant) Rel Props:Source_db:cmaup_ingredients
  • 25. Outgoing r'ship FOUND_IN to/from Uvaria Angolensis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 26. Outgoing r'ship FOUND_IN to/from Uvaria Macrophylla (Plant) Rel Props:Source_db:cmaup_ingredients
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