N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide
Formula:C17H10N3O2ClF6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide is a drug-like molecule.
| MolName | N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide |
| MolecularFormula | C17H10N3O2ClF6 |
| Smiles | O=C(C(N/N=C\c1c(C(F)(F)F)cccc1)=O)Nc(cc1)cc(C(F)(F)F)c1Cl |
| InChI | InChI=1S/C17H10ClF6N3O2/c18-13-6-5-10(7-12(13)17(22,23)24)26-14(28)15(29)27-25-8-9-3-1-2-4-11(9)16(19,20)21/h1-8H,(H,26,28)(H,27,29) |
| InChIK | SBOLJNNEJVHULP-UHFFFAOYSA-N |
| TotalMolweight | 437.726 |
| Molweight | 437.726 |
| MonoisotopicMass | 437.036572 |
| CLogP | 4.4465 |
| CLogS | -5.817 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 290.54 |
| Relative PSA | 0.20827 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | -3.43 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide | 2 - N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide
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