(2E)-2-(2,4-dichlorophenyl)-2-hydroxyiminoacetonitrile
Formula:C8H4N2OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-2-(2,4-dichlorophenyl)-2-hydroxyiminoacetonitrile is a drug-like molecule.
| MolName | (2E)-2-(2,4-dichlorophenyl)-2-hydroxyiminoacetonitrile |
| MolecularFormula | C8H4N2OCl2 |
| Smiles | N#C/C(/c(ccc(Cl)c1)c1Cl)=N/O |
| InChI | InChI=1S/C8H4Cl2N2O/c9-5-1-2-6(7(10)3-5)8(4-11)12-13/h1-3,13H |
| InChIK | XDFJFHBOTSEFLD-UHFFFAOYSA-N |
| TotalMolweight | 215.039 |
| Molweight | 215.039 |
| MonoisotopicMass | 213.970067 |
| CLogP | 2.6098 |
| CLogS | -4.295 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 155.13 |
| Relative PSA | 0.24605 |
| PolarSurfaceArea | 56.38 |
| Druglikeness | -5.4985 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| StereoCon |
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1 - (2E)-2-(2,4-dichlorophenyl)-2-hydroxyiminoacetonitrile | 2 - (2E)-2-(2,4-dichlorophenyl)-2-hydroxyiminoacetonitrile
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