(5E)-5-[[4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-3-phenylimidazolidine-2,4-dione
Formula:C21H14N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[[4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-3-phenylimidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-5-[[4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-3-phenylimidazolidine-2,4-dione |
| MolecularFormula | C21H14N4O5 |
| Smiles | [O-][N+](c(cc1)cnc1Oc1ccc(/C=C(\C(N2c3ccccc3)=O)/NC2=O)cc1)=O |
| InChI | InChI=1S/C21H14N4O5/c26-20-18(23-21(27)24(20)15-4-2-1-3-5-15)12-14-6-9-17(10-7-14)30-19-11-8-16(13-22-19)25(28)29/h1-13H,(H,23,27) |
| InChIK | YZWHDDMGOCBTOI-UHFFFAOYSA-N |
| TotalMolweight | 402.365 |
| Molweight | 402.365 |
| MonoisotopicMass | 402.096421 |
| CLogP | 2.4409 |
| CLogS | -6.706 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 293.68 |
| Relative PSA | 0.3149 |
| PolarSurfaceArea | 117.35 |
| Druglikeness | -1.3175 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (5E)-5-[[4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-3-phenylimidazolidine-2,4-dione | 2 - (5E)-5-[[4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-3-phenylimidazolidine-2,4-dione
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