(2E)-2-hydroxyimino-2-pyridin-2-ylsulfonylacetonitrile
Formula:C7H5N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-2-hydroxyimino-2-pyridin-2-ylsulfonylacetonitrile is a drug-like molecule.
| MolName | (2E)-2-hydroxyimino-2-pyridin-2-ylsulfonylacetonitrile |
| MolecularFormula | C7H5N3O3S |
| Smiles | N#C/C(/S(c1ncccc1)(=O)=O)=N\O |
| InChI | InChI=1S/C7H5N3O3S/c8-5-7(10-11)14(12,13)6-3-1-2-4-9-6/h1-4,11H |
| InChIK | YGMWCSZEJYENBM-UHFFFAOYSA-N |
| TotalMolweight | 211.201 |
| Molweight | 211.201 |
| MonoisotopicMass | 211.005162 |
| CLogP | -1.0016 |
| CLogS | -0.906 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 151.63 |
| Relative PSA | 0.51256 |
| PolarSurfaceArea | 111.79 |
| Druglikeness | -5.38 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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