(E)-3-pyridin-3-yl-2-thiophen-2-ylprop-2-enenitrile
Formula:C12H8N2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-pyridin-3-yl-2-thiophen-2-ylprop-2-enenitrile is a drug-like molecule.
| MolName | (E)-3-pyridin-3-yl-2-thiophen-2-ylprop-2-enenitrile |
| MolecularFormula | C12H8N2S |
| Smiles | N#C/C(/c1cccs1)=C\c1cnccc1 |
| InChI | InChI=1S/C12H8N2S/c13-8-11(12-4-2-6-15-12)7-10-3-1-5-14-9-10/h1-7,9H |
| InChIK | DGMSKRCMDSDQKR-UHFFFAOYSA-N |
| TotalMolweight | 212.276 |
| Molweight | 212.276 |
| MonoisotopicMass | 212.040818 |
| CLogP | 2.1983 |
| CLogS | -2.844 |
| H Acceptors | 2 |
| TotalSurfaceArea | 174.14 |
| Relative PSA | 0.25778 |
| PolarSurfaceArea | 64.92 |
| Druglikeness | -2.4495 |
| 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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