(5Z)-5-[(4-chloro-3-nitrophenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
Formula:C17H11N3O4ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(4-chloro-3-nitrophenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-5-[(4-chloro-3-nitrophenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione |
| MolecularFormula | C17H11N3O4ClF |
| Smiles | [O-][N+](c(cc(/C=C(/C(N1Cc(cccc2)c2F)=O)\NC1=O)cc1)c1Cl)=O |
| InChI | InChI=1S/C17H11ClFN3O4/c18-12-6-5-10(8-15(12)22(25)26)7-14-16(23)21(17(24)20-14)9-11-3-1-2-4-13(11)19/h1-8H,9H2,(H,20,24) |
| InChIK | CGBIWCITJUWFQG-UHFFFAOYSA-N |
| TotalMolweight | 375.742 |
| Molweight | 375.742 |
| MonoisotopicMass | 375.042212 |
| CLogP | 2.3245 |
| CLogS | -5.207 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 260.69 |
| Relative PSA | 0.27431 |
| PolarSurfaceArea | 95.23 |
| Druglikeness | -1.4849 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (5Z)-5-[(4-chloro-3-nitrophenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione | 2 - (5Z)-5-[(4-chloro-3-nitrophenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
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