(E)-N-[(4-chlorophenyl)methoxy]-2-(4-chlorophenyl)sulfanyl-1-phenylethanimine
Formula:C21H17NOCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(E)-N-[(4-chlorophenyl)methoxy]-2-(4-chlorophenyl)sulfanyl-1-phenylethanimine is not a drug-like molecule.
| MolName | (E)-N-[(4-chlorophenyl)methoxy]-2-(4-chlorophenyl)sulfanyl-1-phenylethanimine |
| MolecularFormula | C21H17NOCl2S |
| Smiles | Clc1ccc(CO/N=C(/CSc(cc2)ccc2Cl)\c2ccccc2)cc1 |
| InChI | InChI=1S/C21H17Cl2NOS/c22-18-8-6-16(7-9-18)14-25-24-21(17-4-2-1-3-5-17)15-26-20-12-10-19(23)11-13-20/h1-13H,14-15H2 |
| InChIK | BVGULLDJSLPKKR-UHFFFAOYSA-N |
| TotalMolweight | 402.344 |
| Molweight | 402.344 |
| MonoisotopicMass | 401.040788 |
| CLogP | 6.6422 |
| CLogS | -7.186 |
| H Acceptors | 2 |
| TotalSurfaceArea | 301.6 |
| Relative PSA | 0.12931 |
| PolarSurfaceArea | 46.89 |
| Druglikeness | 1.4221 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| StereoCon |
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