N-[(Z)-(2,4-difluorophenyl)methylideneamino]thiophene-2-carboxamide
Formula:C12H8N2OF2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,4-difluorophenyl)methylideneamino]thiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2,4-difluorophenyl)methylideneamino]thiophene-2-carboxamide |
| MolecularFormula | C12H8N2OF2S |
| Smiles | O=C(c1cccs1)N/N=C\c(ccc(F)c1)c1F |
| InChI | InChI=1S/C12H8F2N2OS/c13-9-4-3-8(10(14)6-9)7-15-16-12(17)11-2-1-5-18-11/h1-7H,(H,16,17) |
| InChIK | POEIFYHCJBZVSD-UHFFFAOYSA-N |
| TotalMolweight | 266.271 |
| Molweight | 266.271 |
| MonoisotopicMass | 266.032539 |
| CLogP | 3.2698 |
| CLogS | -4.359 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 195.63 |
| Relative PSA | 0.28815 |
| PolarSurfaceArea | 69.7 |
| Druglikeness | 4.8417 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| StereoCon |
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