2-[(E)-4-pyridin-2-ylsulfanylbut-2-enyl]sulfanylpyridine
Formula:C14H14N2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-4-pyridin-2-ylsulfanylbut-2-enyl]sulfanylpyridine is a drug-like molecule.
| MolName | 2-[(E)-4-pyridin-2-ylsulfanylbut-2-enyl]sulfanylpyridine |
| MolecularFormula | C14H14N2S2 |
| Smiles | C(/C=C/CSc1ncccc1)Sc1ncccc1 |
| InChI | InChI=1S/C14H14N2S2/c1-3-9-15-13(7-1)17-11-5-6-12-18-14-8-2-4-10-16-14/h1-10H,11-12H2 |
| InChIK | MDHLQNKEYWBKQU-UHFFFAOYSA-N |
| TotalMolweight | 274.411 |
| Molweight | 274.411 |
| MonoisotopicMass | 274.059838 |
| CLogP | 3.14 |
| CLogS | -2.656 |
| H Acceptors | 2 |
| TotalSurfaceArea | 219.54 |
| Relative PSA | 0.25927 |
| PolarSurfaceArea | 76.38 |
| Druglikeness | -0.59744 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.77778 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 9 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(E)-4-pyridin-2-ylsulfanylbut-2-enyl]sulfanylpyridine | 2 - 2-[(E)-4-pyridin-2-ylsulfanylbut-2-enyl]sulfanylpyridine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off