N-naphthalen-1-yl-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide
Formula:C20H14N3O2F3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-naphthalen-1-yl-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide is a drug-like molecule.
| MolName | N-naphthalen-1-yl-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide |
| MolecularFormula | C20H14N3O2F3 |
| Smiles | O=C(C(N/N=C\c1c(C(F)(F)F)cccc1)=O)Nc1cccc2ccccc12 |
| InChI | InChI=1S/C20H14F3N3O2/c21-20(22,23)16-10-4-2-7-14(16)12-24-26-19(28)18(27)25-17-11-5-8-13-6-1-3-9-15(13)17/h1-12H,(H,25,27)(H,26,28) |
| InChIK | JDVUQNVSROIZDF-UHFFFAOYSA-N |
| TotalMolweight | 385.344 |
| Molweight | 385.344 |
| MonoisotopicMass | 385.103811 |
| CLogP | 4.1866 |
| CLogS | -5.909 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 280.26 |
| Relative PSA | 0.21591 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | -3.4422 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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