1-(2-Phenylethyl)imidazolidine-2,4,5-trione
PubChem CID: 10632596
Connections displayed (default: 10).
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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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FOUND_INto/from Vitis Lanata (Plant) Rel Props:Reference: - 12. Outgoing r'ship
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FOUND_INto/from Vitis Trifolia (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 24. Outgoing r'ship
FOUND_INto/from Vitis Vulpina (Plant) Rel Props:Reference: