2-[(E)-3-phenylprop-2-enyl]sulfanylpyridine
Formula:C14H13NS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-3-phenylprop-2-enyl]sulfanylpyridine is a drug-like molecule.
| MolName | 2-[(E)-3-phenylprop-2-enyl]sulfanylpyridine |
| MolecularFormula | C14H13NS |
| Smiles | C(/C=C/c1ccccc1)Sc1ncccc1 |
| InChI | InChI=1S/C14H13NS/c1-2-7-13(8-3-1)9-6-12-16-14-10-4-5-11-15-14/h1-11H,12H2 |
| InChIK | FJADTEIITQQHDN-UHFFFAOYSA-N |
| TotalMolweight | 227.33 |
| Molweight | 227.33 |
| MonoisotopicMass | 227.076869 |
| CLogP | 3.5033 |
| CLogS | -3.204 |
| H Acceptors | 1 |
| TotalSurfaceArea | 189.53 |
| Relative PSA | 0.15016 |
| PolarSurfaceArea | 38.19 |
| Druglikeness | -0.59744 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[(E)-3-phenylprop-2-enyl]sulfanylpyridine | 2 - 2-[(E)-3-phenylprop-2-enyl]sulfanylpyridine
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