(E)-1-phenyl-3-pyridin-2-ylsulfanylprop-2-en-1-one
Formula:C14H11NOS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-phenyl-3-pyridin-2-ylsulfanylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-phenyl-3-pyridin-2-ylsulfanylprop-2-en-1-one |
| MolecularFormula | C14H11NOS |
| Smiles | O=C(/C=C/Sc1ncccc1)c1ccccc1 |
| InChI | InChI=1S/C14H11NOS/c16-13(12-6-2-1-3-7-12)9-11-17-14-8-4-5-10-15-14/h1-11H |
| InChIK | ZXQCIPKFTIOUPQ-UHFFFAOYSA-N |
| TotalMolweight | 241.313 |
| Molweight | 241.313 |
| MonoisotopicMass | 241.056134 |
| CLogP | 2.4468 |
| CLogS | -3.196 |
| H Acceptors | 2 |
| TotalSurfaceArea | 193.52 |
| Relative PSA | 0.21445 |
| PolarSurfaceArea | 55.26 |
| Druglikeness | 0.50309 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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