N-(furan-2-ylmethyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide
Formula:C15H12N3O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(furan-2-ylmethyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide is a drug-like molecule.
| MolName | N-(furan-2-ylmethyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide |
| MolecularFormula | C15H12N3O3F3 |
| Smiles | O=C(C(N/N=C\c1c(C(F)(F)F)cccc1)=O)NCc1ccco1 |
| InChI | InChI=1S/C15H12F3N3O3/c16-15(17,18)12-6-2-1-4-10(12)8-20-21-14(23)13(22)19-9-11-5-3-7-24-11/h1-8H,9H2,(H,19,22)(H,21,23) |
| InChIK | SQGJERYHKAQMIO-UHFFFAOYSA-N |
| TotalMolweight | 339.272 |
| Molweight | 339.272 |
| MonoisotopicMass | 339.083076 |
| CLogP | 1.8903 |
| CLogS | -3.801 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 249.11 |
| Relative PSA | 0.29955 |
| PolarSurfaceArea | 83.7 |
| Druglikeness | -3.3212 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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