4-fluoro-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]benzamide
Formula:C18H18N3O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-fluoro-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-fluoro-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]benzamide |
| MolecularFormula | C18H18N3O2F |
| Smiles | O=C(c(cc1)ccc1F)N/N=C\c(cc1)ccc1N1CCOCC1 |
| InChI | InChI=1S/C18H18FN3O2/c19-16-5-3-15(4-6-16)18(23)21-20-13-14-1-7-17(8-2-14)22-9-11-24-12-10-22/h1-8,13H,9-12H2,(H,21,23) |
| InChIK | JJPGLGPFGMLHOY-UHFFFAOYSA-N |
| TotalMolweight | 327.358 |
| Molweight | 327.358 |
| MonoisotopicMass | 327.138305 |
| CLogP | 2.9714 |
| CLogS | -4.138 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 255.18 |
| Relative PSA | 0.19422 |
| PolarSurfaceArea | 53.93 |
| Druglikeness | 3.7793 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 4-fluoro-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]benzamide | 2 - 4-fluoro-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]benzamide
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