N'-[(Z)-(2-fluorophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
Formula:C16H11N3O2F4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(2-fluorophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide is a drug-like molecule.
| MolName | N'-[(Z)-(2-fluorophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide |
| MolecularFormula | C16H11N3O2F4 |
| Smiles | O=C(C(N/N=C\c(cccc1)c1F)=O)Nc1cc(C(F)(F)F)ccc1 |
| InChI | InChI=1S/C16H11F4N3O2/c17-13-7-2-1-4-10(13)9-21-23-15(25)14(24)22-12-6-3-5-11(8-12)16(18,19)20/h1-9H,(H,22,24)(H,23,25) |
| InChIK | ZFELNMARRPLVAJ-UHFFFAOYSA-N |
| TotalMolweight | 353.274 |
| Molweight | 353.274 |
| MonoisotopicMass | 353.078739 |
| CLogP | 3.093 |
| CLogS | -4.617 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 252.01 |
| Relative PSA | 0.24011 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | -3.4422 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| 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 |
| StereoCon |
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1 - N'-[(Z)-(2-fluorophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide | 2 - N'-[(Z)-(2-fluorophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
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