(5E)-3-(3-chlorophenyl)-5-[[1-(3-nitrophenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione
Formula:C20H13N4O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-3-(3-chlorophenyl)-5-[[1-(3-nitrophenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-3-(3-chlorophenyl)-5-[[1-(3-nitrophenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C20H13N4O4Cl |
| Smiles | [O-][N+](c1cccc(-n2c(/C=C(\C(N3c4cccc(Cl)c4)=O)/NC3=O)ccc2)c1)=O |
| InChI | InChI=1S/C20H13ClN4O4/c21-13-4-1-6-16(10-13)24-19(26)18(22-20(24)27)12-15-8-3-9-23(15)14-5-2-7-17(11-14)25(28)29/h1-12H,(H,22,27) |
| InChIK | YOXFJJSIAAOUDA-UHFFFAOYSA-N |
| TotalMolweight | 408.8 |
| Molweight | 408.8 |
| MonoisotopicMass | 408.062533 |
| CLogP | 2.5397 |
| CLogS | -7.752 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 289.54 |
| Relative PSA | 0.27071 |
| PolarSurfaceArea | 100.16 |
| Druglikeness | -1.1738 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (5E)-3-(3-chlorophenyl)-5-[[1-(3-nitrophenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione | 2 - (5E)-3-(3-chlorophenyl)-5-[[1-(3-nitrophenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione
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