1-[(E)-2-phenylethenyl]pyridine-2-thione
Formula:C13H11NS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(E)-2-phenylethenyl]pyridine-2-thione is a drug-like molecule.
| MolName | 1-[(E)-2-phenylethenyl]pyridine-2-thione |
| MolecularFormula | C13H11NS |
| Smiles | S=C1N(/C=C/c2ccccc2)C=CC=C1 |
| InChI | InChI=1S/C13H11NS/c15-13-8-4-5-10-14(13)11-9-12-6-2-1-3-7-12/h1-11H |
| InChIK | FKGZATHETJZCCP-UHFFFAOYSA-N |
| TotalMolweight | 213.303 |
| Molweight | 213.303 |
| MonoisotopicMass | 213.061219 |
| CLogP | 1.8384 |
| CLogS | -3.7 |
| H Acceptors | 1 |
| TotalSurfaceArea | 182.27 |
| Relative PSA | 0.17309 |
| PolarSurfaceArea | 35.33 |
| Druglikeness | 0.31202 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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