(E)-2,2,2-trichloro-N-(4-chlorophenyl)sulfanyl-1-phenylethanimine
Formula:C14H9NCl4S
Mutagenic:high
Tumorigenic:low
Reproductive Effective:high
(E)-2,2,2-trichloro-N-(4-chlorophenyl)sulfanyl-1-phenylethanimine is not a drug-like molecule.
| MolName | (E)-2,2,2-trichloro-N-(4-chlorophenyl)sulfanyl-1-phenylethanimine |
| MolecularFormula | C14H9NCl4S |
| Smiles | ClC(/C(/c1ccccc1)=N/Sc(cc1)ccc1Cl)(Cl)Cl |
| InChI | InChI=1S/C14H9Cl4NS/c15-11-6-8-12(9-7-11)20-19-13(14(16,17)18)10-4-2-1-3-5-10/h1-9H |
| InChIK | COONVMKQDQLNRX-UHFFFAOYSA-N |
| TotalMolweight | 365.11 |
| Molweight | 365.11 |
| MonoisotopicMass | 362.920977 |
| CLogP | 5.7249 |
| CLogS | -6.754 |
| H Acceptors | 1 |
| TotalSurfaceArea | 245.57 |
| Relative PSA | 0.11809 |
| PolarSurfaceArea | 37.66 |
| Druglikeness | -0.71898 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| BasicNitrogens | 1 |
| StereoCon |
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