(2Z)-2-(4-chlorophenyl)sulfonyl-2-hydroxyiminoacetonitrile
Formula:C8H5N2O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-(4-chlorophenyl)sulfonyl-2-hydroxyiminoacetonitrile is a drug-like molecule.
| MolName | (2Z)-2-(4-chlorophenyl)sulfonyl-2-hydroxyiminoacetonitrile |
| MolecularFormula | C8H5N2O3ClS |
| Smiles | N#C/C(/S(c(cc1)ccc1Cl)(=O)=O)=N/O |
| InChI | InChI=1S/C8H5ClN2O3S/c9-6-1-3-7(4-2-6)15(13,14)8(5-10)11-12/h1-4,12H |
| InChIK | HJVLCJDWUSCNDF-UHFFFAOYSA-N |
| TotalMolweight | 244.658 |
| Molweight | 244.658 |
| MonoisotopicMass | 243.97094 |
| CLogP | 0.5079 |
| CLogS | -2.674 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 168.29 |
| Relative PSA | 0.39664 |
| PolarSurfaceArea | 98.9 |
| Druglikeness | -4.3131 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| StereoCon |
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