N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide
Formula:C15H11N3O3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide |
| MolecularFormula | C15H11N3O3Cl2 |
| Smiles | [O-][N+](c1ccc(CC(N/N=C\c(c(Cl)ccc2)c2Cl)=O)cc1)=O |
| InChI | InChI=1S/C15H11Cl2N3O3/c16-13-2-1-3-14(17)12(13)9-18-19-15(21)8-10-4-6-11(7-5-10)20(22)23/h1-7,9H,8H2,(H,19,21) |
| InChIK | DHCLUDGKTZYAOL-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 | low |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| 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 | 5 |
| AcidicOxygens | 1 |
| StereoCon |
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