(2E)-2-(2-chlorophenyl)-2-hydroxyiminoacetonitrile
Formula:C8H5N2OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-2-(2-chlorophenyl)-2-hydroxyiminoacetonitrile is a drug-like molecule.
| MolName | (2E)-2-(2-chlorophenyl)-2-hydroxyiminoacetonitrile |
| MolecularFormula | C8H5N2OCl |
| Smiles | N#C/C(/c(cccc1)c1Cl)=N/O |
| InChI | InChI=1S/C8H5ClN2O/c9-7-4-2-1-3-6(7)8(5-10)11-12/h1-4,12H |
| InChIK | IUROYCYHNOGWHM-UHFFFAOYSA-N |
| TotalMolweight | 180.594 |
| Molweight | 180.594 |
| MonoisotopicMass | 180.00904 |
| CLogP | 2.0038 |
| CLogS | -3.559 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 139.71 |
| Relative PSA | 0.27321 |
| PolarSurfaceArea | 56.38 |
| Druglikeness | -5.4985 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| 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-chlorophenyl)-2-hydroxyiminoacetonitrile | 2 - (2E)-2-(2-chlorophenyl)-2-hydroxyiminoacetonitrile
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