N-(3-chlorophenyl)-N'-[(Z)-(4-fluorophenyl)methylideneamino]oxamide
Formula:C15H11N3O2ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(3-chlorophenyl)-N'-[(Z)-(4-fluorophenyl)methylideneamino]oxamide is a drug-like molecule.
| MolName | N-(3-chlorophenyl)-N'-[(Z)-(4-fluorophenyl)methylideneamino]oxamide |
| MolecularFormula | C15H11N3O2ClF |
| Smiles | O=C(C(N/N=C\c(cc1)ccc1F)=O)Nc1cccc(Cl)c1 |
| InChI | InChI=1S/C15H11ClFN3O2/c16-11-2-1-3-13(8-11)19-14(21)15(22)20-18-9-10-4-6-12(17)7-5-10/h1-9H,(H,19,21)(H,20,22) |
| InChIK | RSNHQXNVXTZOFX-UHFFFAOYSA-N |
| TotalMolweight | 319.722 |
| Molweight | 319.722 |
| MonoisotopicMass | 319.052382 |
| CLogP | 2.8507 |
| CLogS | -4.575 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 237.97 |
| Relative PSA | 0.25428 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 2.42 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N-(3-chlorophenyl)-N'-[(Z)-(4-fluorophenyl)methylideneamino]oxamide | 2 - N-(3-chlorophenyl)-N'-[(Z)-(4-fluorophenyl)methylideneamino]oxamide
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