N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
Formula:C15H10N3O4Cl3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide |
| MolecularFormula | C15H10N3O4Cl3 |
| Smiles | [O-][N+](c(cc(/C=N\NC(COc(ccc(Cl)c1)c1Cl)=O)cc1)c1Cl)=O |
| InChI | InChI=1S/C15H10Cl3N3O4/c16-10-2-4-14(12(18)6-10)25-8-15(22)20-19-7-9-1-3-11(17)13(5-9)21(23)24/h1-7H,8H2,(H,20,22) |
| InChIK | NRAXBQVKVKAYHR-UHFFFAOYSA-N |
| TotalMolweight | 402.62 |
| Molweight | 402.62 |
| MonoisotopicMass | 400.973688 |
| CLogP | 3.6729 |
| CLogS | -6.169 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 280.68 |
| Relative PSA | 0.2723 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -0.88926 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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