N-(3,4-dichlorophenyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide
Formula:C16H10N3O2Cl2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(3,4-dichlorophenyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide is a drug-like molecule.
| MolName | N-(3,4-dichlorophenyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide |
| MolecularFormula | C16H10N3O2Cl2F3 |
| Smiles | O=C(C(N/N=C\c1c(C(F)(F)F)cccc1)=O)Nc(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C16H10Cl2F3N3O2/c17-12-6-5-10(7-13(12)18)23-14(25)15(26)24-22-8-9-3-1-2-4-11(9)16(19,20)21/h1-8H,(H,23,25)(H,24,26) |
| InChIK | LXHIYEOZRZGPEV-UHFFFAOYSA-N |
| TotalMolweight | 404.174 |
| Molweight | 404.174 |
| MonoisotopicMass | 403.010215 |
| CLogP | 4.2042 |
| CLogS | -5.775 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 276.5 |
| Relative PSA | 0.21884 |
| 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 | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| 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 |
| StereoCon |
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1 - N-(3,4-dichlorophenyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide | 2 - N-(3,4-dichlorophenyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide
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