(E)-3-(2-chlorophenyl)-2-pyridin-2-ylsulfonylprop-2-enenitrile
Formula:C14H9N2O2ClS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-3-(2-chlorophenyl)-2-pyridin-2-ylsulfonylprop-2-enenitrile is a drug-like molecule.
| MolName | (E)-3-(2-chlorophenyl)-2-pyridin-2-ylsulfonylprop-2-enenitrile |
| MolecularFormula | C14H9N2O2ClS |
| Smiles | N#C/C(/S(c1ncccc1)(=O)=O)=C\c(cccc1)c1Cl |
| InChI | InChI=1S/C14H9ClN2O2S/c15-13-6-2-1-5-11(13)9-12(10-16)20(18,19)14-7-3-4-8-17-14/h1-9H |
| InChIK | IMILTVSWJIRXGX-UHFFFAOYSA-N |
| TotalMolweight | 304.756 |
| Molweight | 304.756 |
| MonoisotopicMass | 304.007325 |
| CLogP | 2.112 |
| CLogS | -3.947 |
| H Acceptors | 4 |
| TotalSurfaceArea | 222.2 |
| Relative PSA | 0.23902 |
| PolarSurfaceArea | 79.2 |
| Druglikeness | -3.8203 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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