| MolName | (1E)-2-chloro-N-[(2-chlorobenzoyl)amino]benzenecarboximidoyl cyanide |
| MolecularFormula | C15H9N3OCl2 |
| Smiles | N#C/C(/c(cccc1)c1Cl)=N/NC(c(cccc1)c1Cl)=O |
| InChI | InChI=1S/C15H9Cl2N3O/c16-12-7-3-1-5-10(12)14(9-18)19-20-15(21)11-6-2-4-8-13(11)17/h1-8H,(H,20,21) |
| InChIK | OAZKBYJQYZLKST-UHFFFAOYSA-N |
| TotalMolweight | 318.162 |
| Molweight | 318.162 |
| MonoisotopicMass | 317.012266 |
| CLogP | 3.5971 |
| CLogS | -5.701 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 237.75 |
| Relative PSA | 0.2085 |
| PolarSurfaceArea | 65.25 |
| Druglikeness | -0.89794 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| StereoCon |
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1 - (1E)-2-chloro-N-[(2-chlorobenzoyl)amino]benzenecarboximidoyl cyanide | 2 - (1E)-2-chloro-N-[(2-chlorobenzoyl)amino]benzenecarboximidoyl cyanide