N'-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]oxamide
Formula:C10H8N3O2F3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]oxamide is a drug-like molecule.
| MolName | N'-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]oxamide |
| MolecularFormula | C10H8N3O2F3 |
| Smiles | NC(C(N/N=C\c1cccc(C(F)(F)F)c1)=O)=O |
| InChI | InChI=1S/C10H8F3N3O2/c11-10(12,13)7-3-1-2-6(4-7)5-15-16-9(18)8(14)17/h1-5H,(H2,14,17)(H,16,18) |
| InChIK | VWDWHSBANWPALM-UHFFFAOYSA-N |
| TotalMolweight | 259.187 |
| Molweight | 259.187 |
| MonoisotopicMass | 259.056861 |
| CLogP | 0.932 |
| CLogS | -2.88 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 182.96 |
| Relative PSA | 0.35155 |
| PolarSurfaceArea | 84.55 |
| Druglikeness | -4.9394 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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