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1-(2-Phenylethyl)imidazolidine-2,4,5-trione

PubChem CID: 10632596

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Compound Synonyms CHEBI:87273, 1-(2-phenylethyl)imidazolidine-2,4,5-trione, CHEMBL1762070, BDBM50483636, Q27159479
Topological Polar Surface Area 66.5
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 16.0
Isotope Atom Count 0.0
Molecular Complexity 321.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P07650
Iupac Name 1-(2-phenylethyl)imidazolidine-2,4,5-trione
Prediction Hob 1.0
Xlogp 1.2
Molecular Formula C11H10N2O3
Prediction Swissadme 0.0
Inchi Key DVYLVCFIZKRPLK-UHFFFAOYSA-N
Fcsp3 0.1818181818181818
Logs -2.161
Rotatable Bond Count 3.0
Logd 0.857
Compound Name 1-(2-Phenylethyl)imidazolidine-2,4,5-trione
Prediction Hob Swissadme 0.0
Exact Mass 218.069
Formal Charge 0.0
Monoisotopic Mass 218.069
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 218.21
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -2.2552144
Inchi InChI=1S/C11H10N2O3/c14-9-10(15)13(11(16)12-9)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,14,16)
Smiles C1=CC=C(C=C1)CCN2C(=O)C(=O)NC2=O
Nring 2.0
Defined Bond Stereocenter Count 0.0

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  • 10. Outgoing r'ship FOUND_IN to/from Vitis Labrusca (Plant) Rel Props:Reference:
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  • 23. Outgoing r'ship FOUND_IN to/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 24. Outgoing r'ship FOUND_IN to/from Vitis Vulpina (Plant) Rel Props:Reference: