4-(2,4-dichlorophenoxy)-N-[(Z)-(4-nitrophenyl)methylideneamino]butanamide
Formula:C17H15N3O4Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
4-(2,4-dichlorophenoxy)-N-[(Z)-(4-nitrophenyl)methylideneamino]butanamide is a drug-like molecule.
| MolName | 4-(2,4-dichlorophenoxy)-N-[(Z)-(4-nitrophenyl)methylideneamino]butanamide |
| MolecularFormula | C17H15N3O4Cl2 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(CCCOc(ccc(Cl)c2)c2Cl)=O)cc1)=O |
| InChI | InChI=1S/C17H15Cl2N3O4/c18-13-5-8-16(15(19)10-13)26-9-1-2-17(23)21-20-11-12-3-6-14(7-4-12)22(24)25/h3-8,10-11H,1-2,9H2,(H,21,23) |
| InChIK | XAUJRLIQHPJLEN-UHFFFAOYSA-N |
| TotalMolweight | 396.229 |
| Molweight | 396.229 |
| MonoisotopicMass | 395.043961 |
| CLogP | 3.9757 |
| CLogS | -5.973 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 292.78 |
| Relative PSA | 0.26105 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -4.9588 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73077 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-(2,4-dichlorophenoxy)-N-[(Z)-(4-nitrophenyl)methylideneamino]butanamide | 2 - 4-(2,4-dichlorophenoxy)-N-[(Z)-(4-nitrophenyl)methylideneamino]butanamide
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