N'-[(Z)-benzylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
Formula:C16H12N3O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-benzylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide is a drug-like molecule.
| MolName | N'-[(Z)-benzylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide |
| MolecularFormula | C16H12N3O2F3 |
| Smiles | O=C(C(N/N=C\c1ccccc1)=O)Nc1cccc(C(F)(F)F)c1 |
| InChI | InChI=1S/C16H12F3N3O2/c17-16(18,19)12-7-4-8-13(9-12)21-14(23)15(24)22-20-10-11-5-2-1-3-6-11/h1-10H,(H,21,23)(H,22,24) |
| InChIK | NMQFCTJMMKNODP-UHFFFAOYSA-N |
| TotalMolweight | 335.284 |
| Molweight | 335.284 |
| MonoisotopicMass | 335.088161 |
| CLogP | 2.9922 |
| CLogS | -4.303 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 245.66 |
| Relative PSA | 0.24632 |
| 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 | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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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