(5E)-5-[[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]imidazolidine-2,4-dione
Formula:C17H10N3O5F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-5-[[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C17H10N3O5F3 |
| Smiles | [O-][N+](c(cc(C(F)(F)F)cc1)c1Oc1ccc(/C=C(\C(N2)=O)/NC2=O)cc1)=O |
| InChI | InChI=1S/C17H10F3N3O5/c18-17(19,20)10-3-6-14(13(8-10)23(26)27)28-11-4-1-9(2-5-11)7-12-15(24)22-16(25)21-12/h1-8H,(H2,21,22,24,25) |
| InChIK | AUOQHMSUGZAJLS-UHFFFAOYSA-N |
| TotalMolweight | 393.276 |
| Molweight | 393.276 |
| MonoisotopicMass | 393.057256 |
| CLogP | 2.1906 |
| CLogS | -6.271 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 265.78 |
| Relative PSA | 0.33644 |
| PolarSurfaceArea | 113.25 |
| Druglikeness | -9.1191 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (5E)-5-[[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]imidazolidine-2,4-dione | 2 - (5E)-5-[[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]imidazolidine-2,4-dione
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