(1Z)-N-[3,5-bis(trifluoromethyl)anilino]-1-thiophen-2-ylsulfonylmethanimidoyl cyanide
Formula:C14H7N3O2F6S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1Z)-N-[3,5-bis(trifluoromethyl)anilino]-1-thiophen-2-ylsulfonylmethanimidoyl cyanide is a drug-like molecule.
| MolName | (1Z)-N-[3,5-bis(trifluoromethyl)anilino]-1-thiophen-2-ylsulfonylmethanimidoyl cyanide |
| MolecularFormula | C14H7N3O2F6S2 |
| Smiles | N#C/C(/S(c1cccs1)(=O)=O)=N/Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 |
| InChI | InChI=1S/C14H7F6N3O2S2/c15-13(16,17)8-4-9(14(18,19)20)6-10(5-8)22-23-11(7-21)27(24,25)12-2-1-3-26-12/h1-6,22H |
| InChIK | GGDZENSMYBGDSA-UHFFFAOYSA-N |
| TotalMolweight | 427.349 |
| Molweight | 427.349 |
| MonoisotopicMass | 426.988385 |
| CLogP | 4.2142 |
| CLogS | -4.245 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 272.6 |
| Relative PSA | 0.31354 |
| PolarSurfaceArea | 118.94 |
| Druglikeness | -24.705 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 9 |
| StereoCon |
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