(1Z)-N-[3,5-bis(trifluoromethyl)anilino]-1-(4-chlorophenyl)sulfonylmethanimidoyl cyanide
Formula:C16H8N3O2ClF6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1Z)-N-[3,5-bis(trifluoromethyl)anilino]-1-(4-chlorophenyl)sulfonylmethanimidoyl cyanide is a drug-like molecule.
| MolName | (1Z)-N-[3,5-bis(trifluoromethyl)anilino]-1-(4-chlorophenyl)sulfonylmethanimidoyl cyanide |
| MolecularFormula | C16H8N3O2ClF6S |
| Smiles | N#C/C(/S(c(cc1)ccc1Cl)(=O)=O)=N/Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 |
| InChI | InChI=1S/C16H8ClF6N3O2S/c17-11-1-3-13(4-2-11)29(27,28)14(8-24)26-25-12-6-9(15(18,19)20)5-10(7-12)16(21,22)23/h1-7,25H |
| InChIK | YZHOCOGMXVAAAW-UHFFFAOYSA-N |
| TotalMolweight | 455.766 |
| Molweight | 455.766 |
| MonoisotopicMass | 454.992992 |
| CLogP | 4.8311 |
| CLogS | -5.064 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 292.08 |
| Relative PSA | 0.22292 |
| PolarSurfaceArea | 90.7 |
| Druglikeness | -24.571 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 11 |
| StereoCon |
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