N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide
Formula:C15H11N3O3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide |
| MolecularFormula | C15H11N3O3Cl2 |
| Smiles | [O-][N+](c1ccc(CC(N/N=C\c(ccc(Cl)c2)c2Cl)=O)cc1)=O |
| InChI | InChI=1S/C15H11Cl2N3O3/c16-12-4-3-11(14(17)8-12)9-18-19-15(21)7-10-1-5-13(6-2-10)20(22)23/h1-6,8-9H,7H2,(H,19,21) |
| InChIK | JUNNEGRVIIJHFF-UHFFFAOYSA-N |
| TotalMolweight | 352.176 |
| Molweight | 352.176 |
| MonoisotopicMass | 351.017746 |
| CLogP | 3.4901 |
| CLogS | -5.618 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 255.26 |
| Relative PSA | 0.26024 |
| PolarSurfaceArea | 87.28 |
| Druglikeness | -0.75966 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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