N'-[(Z)-(3-chloro-4-nitrophenyl)methylideneamino]-N-(4-fluorophenyl)oxamide
Formula:C15H10N4O4ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(3-chloro-4-nitrophenyl)methylideneamino]-N-(4-fluorophenyl)oxamide is a drug-like molecule.
| MolName | N'-[(Z)-(3-chloro-4-nitrophenyl)methylideneamino]-N-(4-fluorophenyl)oxamide |
| MolecularFormula | C15H10N4O4ClF |
| Smiles | [O-][N+](c(ccc(/C=N\NC(C(Nc(cc1)ccc1F)=O)=O)c1)c1Cl)=O |
| InChI | InChI=1S/C15H10ClFN4O4/c16-12-7-9(1-6-13(12)21(24)25)8-18-20-15(23)14(22)19-11-4-2-10(17)3-5-11/h1-8H,(H,19,22)(H,20,23) |
| InChIK | UICREJPLYOPKLU-UHFFFAOYSA-N |
| TotalMolweight | 364.719 |
| Molweight | 364.719 |
| MonoisotopicMass | 364.037461 |
| CLogP | 1.9291 |
| CLogS | -5.035 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 261.64 |
| Relative PSA | 0.34754 |
| PolarSurfaceArea | 116.38 |
| Druglikeness | -2.7209 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| 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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