(1E)-N-(2,4-difluoroanilino)-1-thiophen-3-ylsulfonylmethanimidoyl cyanide
Formula:C12H7N3O2F2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1E)-N-(2,4-difluoroanilino)-1-thiophen-3-ylsulfonylmethanimidoyl cyanide is a drug-like molecule.
| MolName | (1E)-N-(2,4-difluoroanilino)-1-thiophen-3-ylsulfonylmethanimidoyl cyanide |
| MolecularFormula | C12H7N3O2F2S2 |
| Smiles | N#C/C(/S(c1cscc1)(=O)=O)=N\Nc(ccc(F)c1)c1F |
| InChI | InChI=1S/C12H7F2N3O2S2/c13-8-1-2-11(10(14)5-8)16-17-12(6-15)21(18,19)9-3-4-20-7-9/h1-5,7,16H |
| InChIK | OBMOAXBKYDQSDP-UHFFFAOYSA-N |
| TotalMolweight | 327.335 |
| Molweight | 327.335 |
| MonoisotopicMass | 326.994773 |
| CLogP | 2.5145 |
| CLogS | -3.3 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 226.38 |
| Relative PSA | 0.37755 |
| PolarSurfaceArea | 118.94 |
| Druglikeness | -3.8905 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 1 |
| StereoCon |
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