(1Z)-N-(4-fluoroanilino)-1-thiophen-2-ylsulfonylmethanimidoyl cyanide
Formula:C12H8N3O2FS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1Z)-N-(4-fluoroanilino)-1-thiophen-2-ylsulfonylmethanimidoyl cyanide is a drug-like molecule.
| MolName | (1Z)-N-(4-fluoroanilino)-1-thiophen-2-ylsulfonylmethanimidoyl cyanide |
| MolecularFormula | C12H8N3O2FS2 |
| Smiles | N#C/C(/S(c1cccs1)(=O)=O)=N/Nc(cc1)ccc1F |
| InChI | InChI=1S/C12H8FN3O2S2/c13-9-3-5-10(6-4-9)15-16-11(8-14)20(17,18)12-2-1-7-19-12/h1-7,15H |
| InChIK | DXZGHOKMLXMLBH-UHFFFAOYSA-N |
| TotalMolweight | 309.345 |
| Molweight | 309.345 |
| MonoisotopicMass | 309.004195 |
| CLogP | 2.6184 |
| CLogS | -3.003 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 220.03 |
| Relative PSA | 0.38845 |
| PolarSurfaceArea | 118.94 |
| Druglikeness | -3.7015 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| StereoCon |
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