(5E)-3-(3-chlorophenyl)-5-[[4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]imidazolidine-2,4-dione
Formula:C21H13N4O5Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-3-(3-chlorophenyl)-5-[[4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-3-(3-chlorophenyl)-5-[[4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C21H13N4O5Cl |
| Smiles | [O-][N+](c(cc1)cnc1Oc1ccc(/C=C(\C(N2c3cccc(Cl)c3)=O)/NC2=O)cc1)=O |
| InChI | InChI=1S/C21H13ClN4O5/c22-14-2-1-3-15(11-14)25-20(27)18(24-21(25)28)10-13-4-7-17(8-5-13)31-19-9-6-16(12-23-19)26(29)30/h1-12H,(H,24,28) |
| InChIK | YLCGUHFVULTOGK-UHFFFAOYSA-N |
| TotalMolweight | 436.81 |
| Molweight | 436.81 |
| MonoisotopicMass | 436.057448 |
| CLogP | 3.0469 |
| CLogS | -7.442 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 309.1 |
| Relative PSA | 0.29919 |
| PolarSurfaceArea | 117.35 |
| Druglikeness | -1.2533 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (5E)-3-(3-chlorophenyl)-5-[[4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]imidazolidine-2,4-dione | 2 - (5E)-3-(3-chlorophenyl)-5-[[4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]imidazolidine-2,4-dione
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