(7aR)-7a-hydroxy-2-(2-phenylethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione
PubChem CID: 155549621
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| Compound Synonyms | CHEMBL4540456 |
|---|---|
| Topological Polar Surface Area | 60.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 392.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (7aR)-7a-hydroxy-2-(2-phenylethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione |
| Prediction Hob | 1.0 |
| Xlogp | 1.0 |
| Molecular Formula | C14H16N2O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | KUWXNIKFLNUYPE-CQSZACIVSA-N |
| Fcsp3 | 0.4285714285714285 |
| Logs | -3.744 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.601 |
| Compound Name | (7aR)-7a-hydroxy-2-(2-phenylethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 260.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 260.116 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 260.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.1384008105263153 |
| Inchi | InChI=1S/C14H16N2O3/c17-12-14(19)8-4-9-16(14)13(18)15(12)10-7-11-5-2-1-3-6-11/h1-3,5-6,19H,4,7-10H2/t14-/m1/s1 |
| Smiles | C1C[C@]2(C(=O)N(C(=O)N2C1)CCC3=CC=CC=C3)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Armoracia Rusticana (Plant) Rel Props:Source_db:cmaup_ingredients