2-(2,4-dichlorophenyl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]quinoline-4-carboxamide
Formula:C21H12N4O4Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
2-(2,4-dichlorophenyl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]quinoline-4-carboxamide is not a drug-like molecule.
| MolName | 2-(2,4-dichlorophenyl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]quinoline-4-carboxamide |
| MolecularFormula | C21H12N4O4Cl2 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(c2cc(-c(ccc(Cl)c3)c3Cl)nc3ccccc23)=O)o1)=O |
| InChI | InChI=1S/C21H12Cl2N4O4/c22-12-5-7-15(17(23)9-12)19-10-16(14-3-1-2-4-18(14)25-19)21(28)26-24-11-13-6-8-20(31-13)27(29)30/h1-11H,(H,26,28) |
| InChIK | AMJXLFXPJGDZMY-UHFFFAOYSA-N |
| TotalMolweight | 455.256 |
| Molweight | 455.256 |
| MonoisotopicMass | 454.02356 |
| CLogP | 5.0983 |
| CLogS | -8.344 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 324.31 |
| Relative PSA | 0.28217 |
| PolarSurfaceArea | 113.31 |
| Druglikeness | 3.0944 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-(2,4-dichlorophenyl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]quinoline-4-carboxamide | 2 - 2-(2,4-dichlorophenyl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]quinoline-4-carboxamide
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