N-(3-chlorophenyl)-N'-[(Z)-(4-nitrophenyl)methylideneamino]oxamide
Formula:C15H11N4O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(3-chlorophenyl)-N'-[(Z)-(4-nitrophenyl)methylideneamino]oxamide is a drug-like molecule.
| MolName | N-(3-chlorophenyl)-N'-[(Z)-(4-nitrophenyl)methylideneamino]oxamide |
| MolecularFormula | C15H11N4O4Cl |
| Smiles | [O-][N+](c1ccc(/C=N\NC(C(Nc2cccc(Cl)c2)=O)=O)cc1)=O |
| InChI | InChI=1S/C15H11ClN4O4/c16-11-2-1-3-12(8-11)18-14(21)15(22)19-17-9-10-4-6-13(7-5-10)20(23)24/h1-9H,(H,18,21)(H,19,22) |
| InChIK | ULFBEMVVYAFIJZ-UHFFFAOYSA-N |
| TotalMolweight | 346.729 |
| Molweight | 346.729 |
| MonoisotopicMass | 346.046883 |
| CLogP | 1.8283 |
| CLogS | -4.721 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 255.29 |
| Relative PSA | 0.35618 |
| PolarSurfaceArea | 116.38 |
| Druglikeness | -1.3809 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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