2-[(E)-3-phenylprop-2-enyl]sulfanyl-5-(trifluoromethyl)pyridine
Formula:C15H12NF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-3-phenylprop-2-enyl]sulfanyl-5-(trifluoromethyl)pyridine is a drug-like molecule.
| MolName | 2-[(E)-3-phenylprop-2-enyl]sulfanyl-5-(trifluoromethyl)pyridine |
| MolecularFormula | C15H12NF3S |
| Smiles | FC(c(cc1)cnc1SC/C=C/c1ccccc1)(F)F |
| InChI | InChI=1S/C15H12F3NS/c16-15(17,18)13-8-9-14(19-11-13)20-10-4-7-12-5-2-1-3-6-12/h1-9,11H,10H2 |
| InChIK | MZMHJSDIPUUWML-UHFFFAOYSA-N |
| TotalMolweight | 295.327 |
| Molweight | 295.327 |
| MonoisotopicMass | 295.064253 |
| CLogP | 4.3516 |
| CLogS | -3.982 |
| H Acceptors | 1 |
| TotalSurfaceArea | 218.99 |
| Relative PSA | 0.12996 |
| PolarSurfaceArea | 38.19 |
| Druglikeness | -7.7874 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(E)-3-phenylprop-2-enyl]sulfanyl-5-(trifluoromethyl)pyridine | 2 - 2-[(E)-3-phenylprop-2-enyl]sulfanyl-5-(trifluoromethyl)pyridine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off