(5E)-3-(3-chlorophenyl)-5-[[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]methylidene]imidazolidine-2,4-dione
Formula:C21H13N3O2ClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-3-(3-chlorophenyl)-5-[[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]methylidene]imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-3-(3-chlorophenyl)-5-[[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C21H13N3O2ClF3 |
| Smiles | O=C(/C(/NC1=O)=C\c2cccn2-c2cc(C(F)(F)F)ccc2)N1c1cccc(Cl)c1 |
| InChI | InChI=1S/C21H13ClF3N3O2/c22-14-5-2-7-17(11-14)28-19(29)18(26-20(28)30)12-16-8-3-9-27(16)15-6-1-4-13(10-15)21(23,24)25/h1-12H,(H,26,30) |
| InChIK | VQKUEFYNJQRLEW-UHFFFAOYSA-N |
| TotalMolweight | 431.8 |
| Molweight | 431.8 |
| MonoisotopicMass | 431.064838 |
| CLogP | 4.3096 |
| CLogS | -8.07 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 295.33 |
| Relative PSA | 0.16239 |
| PolarSurfaceArea | 54.34 |
| Druglikeness | -3.3208 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (5E)-3-(3-chlorophenyl)-5-[[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]methylidene]imidazolidine-2,4-dione | 2 - (5E)-3-(3-chlorophenyl)-5-[[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]methylidene]imidazolidine-2,4-dione
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