4-[[(Z)-(2,6-dichlorophenyl)methylideneamino]oxymethyl]benzonitrile
Formula:C15H10N2OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
4-[[(Z)-(2,6-dichlorophenyl)methylideneamino]oxymethyl]benzonitrile is a drug-like molecule.
| MolName | 4-[[(Z)-(2,6-dichlorophenyl)methylideneamino]oxymethyl]benzonitrile |
| MolecularFormula | C15H10N2OCl2 |
| Smiles | N#Cc1ccc(CO/N=C\c(c(Cl)ccc2)c2Cl)cc1 |
| InChI | InChI=1S/C15H10Cl2N2O/c16-14-2-1-3-15(17)13(14)9-19-20-10-12-6-4-11(8-18)5-7-12/h1-7,9H,10H2 |
| InChIK | NYGBVHBYNYIYML-UHFFFAOYSA-N |
| TotalMolweight | 305.163 |
| Molweight | 305.163 |
| MonoisotopicMass | 304.017017 |
| CLogP | 4.8833 |
| CLogS | -5.887 |
| H Acceptors | 3 |
| TotalSurfaceArea | 234.09 |
| Relative PSA | 0.14981 |
| PolarSurfaceArea | 45.38 |
| Druglikeness | -4.1647 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - 4-[[(Z)-(2,6-dichlorophenyl)methylideneamino]oxymethyl]benzonitrile | 2 - 4-[[(Z)-(2,6-dichlorophenyl)methylideneamino]oxymethyl]benzonitrile
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