(E)-1-pyridin-3-yl-3-thiophen-2-ylprop-2-en-1-one
Formula:C12H9NOS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-pyridin-3-yl-3-thiophen-2-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-pyridin-3-yl-3-thiophen-2-ylprop-2-en-1-one |
| MolecularFormula | C12H9NOS |
| Smiles | O=C(/C=C/c1cccs1)c1cnccc1 |
| InChI | InChI=1S/C12H9NOS/c14-12(10-3-1-7-13-9-10)6-5-11-4-2-8-15-11/h1-9H |
| InChIK | NVUWRNPAXSWQED-UHFFFAOYSA-N |
| TotalMolweight | 215.275 |
| Molweight | 215.275 |
| MonoisotopicMass | 215.040484 |
| CLogP | 2.1695 |
| CLogS | -3.055 |
| H Acceptors | 2 |
| TotalSurfaceArea | 171.97 |
| Relative PSA | 0.25801 |
| PolarSurfaceArea | 58.2 |
| Druglikeness | 2.5742 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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