(E)-N-chloro-1-(4-chlorophenyl)-1-phenylmethanimine
Formula:C13H9NCl2
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
(E)-N-chloro-1-(4-chlorophenyl)-1-phenylmethanimine is a drug-like molecule.
| MolName | (E)-N-chloro-1-(4-chlorophenyl)-1-phenylmethanimine |
| MolecularFormula | C13H9NCl2 |
| Smiles | Clc(cc1)ccc1/C(/c1ccccc1)=N/Cl |
| InChI | InChI=1S/C13H9Cl2N/c14-12-8-6-11(7-9-12)13(16-15)10-4-2-1-3-5-10/h1-9H |
| InChIK | GHNGCYLIPFDHFN-UHFFFAOYSA-N |
| TotalMolweight | 250.127 |
| Molweight | 250.127 |
| MonoisotopicMass | 249.011203 |
| CLogP | 2.2568 |
| CLogS | -5.075 |
| H Acceptors | 1 |
| TotalSurfaceArea | 186.83 |
| Relative PSA | 0.061607 |
| PolarSurfaceArea | 12.36 |
| Druglikeness | -0.92483 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | Cl,Br,I on N,O,P,S,Se,I |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| StereoCon |
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