(1Z)-N-(4-chloroanilino)-1-thiophen-3-ylsulfonylmethanimidoyl cyanide
Formula:C12H8N3O2ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(1Z)-N-(4-chloroanilino)-1-thiophen-3-ylsulfonylmethanimidoyl cyanide is a drug-like molecule.
| MolName | (1Z)-N-(4-chloroanilino)-1-thiophen-3-ylsulfonylmethanimidoyl cyanide |
| MolecularFormula | C12H8N3O2ClS2 |
| Smiles | N#C/C(/S(c1cscc1)(=O)=O)=N/Nc(cc1)ccc1Cl |
| InChI | InChI=1S/C12H8ClN3O2S2/c13-9-1-3-10(4-2-9)15-16-12(7-14)20(17,18)11-5-6-19-8-11/h1-6,8,15H |
| InChIK | IYPOSODIQIFIMQ-UHFFFAOYSA-N |
| TotalMolweight | 325.8 |
| Molweight | 325.8 |
| MonoisotopicMass | 324.974644 |
| CLogP | 2.9189 |
| CLogS | -3.408 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 229.1 |
| Relative PSA | 0.37307 |
| PolarSurfaceArea | 118.94 |
| Druglikeness | -1.8916 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| 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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