N'-[(Z)-(4-fluorophenyl)methylideneamino]-N-naphthalen-1-yloxamide
Formula:C19H14N3O2F
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N'-[(Z)-(4-fluorophenyl)methylideneamino]-N-naphthalen-1-yloxamide is a drug-like molecule.
| MolName | N'-[(Z)-(4-fluorophenyl)methylideneamino]-N-naphthalen-1-yloxamide |
| MolecularFormula | C19H14N3O2F |
| Smiles | O=C(C(N/N=C\c(cc1)ccc1F)=O)Nc1cccc2ccccc12 |
| InChI | InChI=1S/C19H14FN3O2/c20-15-10-8-13(9-11-15)12-21-23-19(25)18(24)22-17-7-3-5-14-4-1-2-6-16(14)17/h1-12H,(H,22,24)(H,23,25) |
| InChIK | TYPLVHSLHBJSHG-UHFFFAOYSA-N |
| TotalMolweight | 335.337 |
| Molweight | 335.337 |
| MonoisotopicMass | 335.107005 |
| CLogP | 3.4391 |
| CLogS | -5.445 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 257.15 |
| Relative PSA | 0.23531 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 2.4078 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N'-[(Z)-(4-fluorophenyl)methylideneamino]-N-naphthalen-1-yloxamide | 2 - N'-[(Z)-(4-fluorophenyl)methylideneamino]-N-naphthalen-1-yloxamide
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