(1E)-N-(4-chloroanilino)-2-(2-chlorophenyl)-2-oxoethanimidoyl cyanide
Formula:C15H9N3OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(1E)-N-(4-chloroanilino)-2-(2-chlorophenyl)-2-oxoethanimidoyl cyanide is a drug-like molecule.
| MolName | (1E)-N-(4-chloroanilino)-2-(2-chlorophenyl)-2-oxoethanimidoyl cyanide |
| MolecularFormula | C15H9N3OCl2 |
| Smiles | N#C/C(/C(c(cccc1)c1Cl)=O)=N\Nc(cc1)ccc1Cl |
| InChI | InChI=1S/C15H9Cl2N3O/c16-10-5-7-11(8-6-10)19-20-14(9-18)15(21)12-3-1-2-4-13(12)17/h1-8,19H |
| InChIK | ALUJZXVPBHXCRY-UHFFFAOYSA-N |
| TotalMolweight | 318.162 |
| Molweight | 318.162 |
| MonoisotopicMass | 317.012266 |
| CLogP | 4.6378 |
| CLogS | -5.051 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 237.75 |
| Relative PSA | 0.2085 |
| PolarSurfaceArea | 65.25 |
| Druglikeness | -1.9241 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| StereoCon |
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