(5Z)-5-[[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-3-phenylimidazolidine-2,4-dione
Formula:C23H14N3O5F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-3-phenylimidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-5-[[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-3-phenylimidazolidine-2,4-dione |
| MolecularFormula | C23H14N3O5F3 |
| Smiles | [O-][N+](c(cc(C(F)(F)F)cc1)c1Oc1ccc(/C=C(/C(N2c3ccccc3)=O)\NC2=O)cc1)=O |
| InChI | InChI=1S/C23H14F3N3O5/c24-23(25,26)15-8-11-20(19(13-15)29(32)33)34-17-9-6-14(7-10-17)12-18-21(30)28(22(31)27-18)16-4-2-1-3-5-16/h1-13H,(H,27,31) |
| InChIK | FUBQMNKFRVCIFY-UHFFFAOYSA-N |
| TotalMolweight | 469.374 |
| Molweight | 469.374 |
| MonoisotopicMass | 469.088556 |
| CLogP | 3.9387 |
| CLogS | -7.754 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 324.38 |
| Relative PSA | 0.25128 |
| PolarSurfaceArea | 104.46 |
| Druglikeness | -8.5075 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.55882 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (5Z)-5-[[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-3-phenylimidazolidine-2,4-dione | 2 - (5Z)-5-[[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-3-phenylimidazolidine-2,4-dione
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