N-(4-bromophenyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide
Formula:C16H11N3O2BrF3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-(4-bromophenyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide is a drug-like molecule.
| MolName | N-(4-bromophenyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide |
| MolecularFormula | C16H11N3O2BrF3 |
| Smiles | O=C(C(N/N=C\c1c(C(F)(F)F)cccc1)=O)Nc(cc1)ccc1Br |
| InChI | InChI=1S/C16H11BrF3N3O2/c17-11-5-7-12(8-6-11)22-14(24)15(25)23-21-9-10-3-1-2-4-13(10)16(18,19)20/h1-9H,(H,22,24)(H,23,25) |
| InChIK | LZIREUPZPIMYDA-UHFFFAOYSA-N |
| TotalMolweight | 414.18 |
| Molweight | 414.18 |
| MonoisotopicMass | 412.998672 |
| CLogP | 3.7174 |
| CLogS | -5.137 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 264.29 |
| Relative PSA | 0.22895 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | -5.2322 |
| Mutagenic | none |
| Tumorigenic | high |
| 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 | 4 |
| Amides | 1 |
| StereoCon |
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