4-fluoro-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide
Formula:C16H16N3O2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-fluoro-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-fluoro-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide |
| MolecularFormula | C16H16N3O2FS |
| Smiles | O=C(c(cc1)ccc1F)N/N=C\c1ccc(N2CCOCC2)s1 |
| InChI | InChI=1S/C16H16FN3O2S/c17-13-3-1-12(2-4-13)16(21)19-18-11-14-5-6-15(23-14)20-7-9-22-10-8-20/h1-6,11H,7-10H2,(H,19,21) |
| InChIK | AAKDJTONUGSQQF-UHFFFAOYSA-N |
| TotalMolweight | 333.386 |
| Molweight | 333.386 |
| MonoisotopicMass | 333.094725 |
| CLogP | 3.0276 |
| CLogS | -4.298 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 251.12 |
| Relative PSA | 0.27843 |
| PolarSurfaceArea | 82.17 |
| Druglikeness | 4.9504 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| StereoCon |
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