(1Z)-1-thiophen-2-ylsulfonyl-N-[4-(trifluoromethyl)anilino]methanimidoyl cyanide
Formula:C13H8N3O2F3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1Z)-1-thiophen-2-ylsulfonyl-N-[4-(trifluoromethyl)anilino]methanimidoyl cyanide is a drug-like molecule.
| MolName | (1Z)-1-thiophen-2-ylsulfonyl-N-[4-(trifluoromethyl)anilino]methanimidoyl cyanide |
| MolecularFormula | C13H8N3O2F3S2 |
| Smiles | N#C/C(/S(c1cccs1)(=O)=O)=N/Nc1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C13H8F3N3O2S2/c14-13(15,16)9-3-5-10(6-4-9)18-19-11(8-17)23(20,21)12-2-1-7-22-12/h1-7,18H |
| InChIK | ZRHBALBMGAZGOA-UHFFFAOYSA-N |
| TotalMolweight | 359.352 |
| Molweight | 359.352 |
| MonoisotopicMass | 359.001001 |
| CLogP | 3.3659 |
| CLogS | -3.467 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 243.14 |
| Relative PSA | 0.35153 |
| PolarSurfaceArea | 118.94 |
| Druglikeness | -11.099 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| StereoCon |
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