2-fluoro-N-[(Z)-thiophen-3-ylmethylideneamino]benzamide
Formula:C12H9N2OFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-fluoro-N-[(Z)-thiophen-3-ylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 2-fluoro-N-[(Z)-thiophen-3-ylmethylideneamino]benzamide |
| MolecularFormula | C12H9N2OFS |
| Smiles | O=C(c(cccc1)c1F)N/N=C\c1cscc1 |
| InChI | InChI=1S/C12H9FN2OS/c13-11-4-2-1-3-10(11)12(16)15-14-7-9-5-6-17-8-9/h1-8H,(H,15,16) |
| InChIK | JGTZIEZVAAFSIE-UHFFFAOYSA-N |
| TotalMolweight | 248.28 |
| Molweight | 248.28 |
| MonoisotopicMass | 248.041961 |
| CLogP | 3.0868 |
| CLogS | -3.935 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 189.28 |
| Relative PSA | 0.29781 |
| PolarSurfaceArea | 69.7 |
| Druglikeness | 3.5776 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| StereoCon |
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