(1E)-2-(2-chlorophenyl)-N-(2,4-dichloroanilino)-2-oxoethanimidoyl cyanide
Formula:C15H8N3OCl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1E)-2-(2-chlorophenyl)-N-(2,4-dichloroanilino)-2-oxoethanimidoyl cyanide is not a drug-like molecule.
| MolName | (1E)-2-(2-chlorophenyl)-N-(2,4-dichloroanilino)-2-oxoethanimidoyl cyanide |
| MolecularFormula | C15H8N3OCl3 |
| Smiles | N#C/C(/C(c(cccc1)c1Cl)=O)=N\Nc(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C15H8Cl3N3O/c16-9-5-6-13(12(18)7-9)20-21-14(8-19)15(22)10-3-1-2-4-11(10)17/h1-7,20H |
| InChIK | UUMMCTKNAJXCLE-UHFFFAOYSA-N |
| TotalMolweight | 352.608 |
| Molweight | 352.608 |
| MonoisotopicMass | 350.973293 |
| CLogP | 5.2438 |
| CLogS | -5.787 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 253.17 |
| Relative PSA | 0.1958 |
| PolarSurfaceArea | 65.25 |
| Druglikeness | -1.9241 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| StereoCon |
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1 - (1E)-2-(2-chlorophenyl)-N-(2,4-dichloroanilino)-2-oxoethanimidoyl cyanide | 2 - (1E)-2-(2-chlorophenyl)-N-(2,4-dichloroanilino)-2-oxoethanimidoyl cyanide
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