(Z)-2-pyridin-2-yl-3-thiophen-2-ylprop-2-enenitrile
Formula:C12H8N2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-2-pyridin-2-yl-3-thiophen-2-ylprop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-2-pyridin-2-yl-3-thiophen-2-ylprop-2-enenitrile |
| MolecularFormula | C12H8N2S |
| Smiles | N#C/C(/c1ncccc1)=C\c1cccs1 |
| InChI | InChI=1S/C12H8N2S/c13-9-10(8-11-4-3-7-15-11)12-5-1-2-6-14-12/h1-8H |
| InChIK | HLQZGTAQQPBTIG-UHFFFAOYSA-N |
| TotalMolweight | 212.276 |
| Molweight | 212.276 |
| MonoisotopicMass | 212.040818 |
| CLogP | 2.2523 |
| CLogS | -2.868 |
| H Acceptors | 2 |
| TotalSurfaceArea | 174.14 |
| Relative PSA | 0.25778 |
| PolarSurfaceArea | 64.92 |
| Druglikeness | -2.7747 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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