3-chloro-2-[(E)-2-thiophen-2-ylethenyl]-5-(trifluoromethyl)pyridine
Formula:C12H7NClF3S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
3-chloro-2-[(E)-2-thiophen-2-ylethenyl]-5-(trifluoromethyl)pyridine is a drug-like molecule.
| MolName | 3-chloro-2-[(E)-2-thiophen-2-ylethenyl]-5-(trifluoromethyl)pyridine |
| MolecularFormula | C12H7NClF3S |
| Smiles | FC(c1cc(Cl)c(/C=C/c2cccs2)nc1)(F)F |
| InChI | InChI=1S/C12H7ClF3NS/c13-10-6-8(12(14,15)16)7-17-11(10)4-3-9-2-1-5-18-9/h1-7H |
| InChIK | UQOASZSHIOFVSF-UHFFFAOYSA-N |
| TotalMolweight | 289.708 |
| Molweight | 289.708 |
| MonoisotopicMass | 288.99398 |
| CLogP | 4.2406 |
| CLogS | -4.505 |
| H Acceptors | 1 |
| TotalSurfaceArea | 199.1 |
| Relative PSA | 0.15736 |
| PolarSurfaceArea | 41.13 |
| Druglikeness | -5.6225 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 3-chloro-2-[(E)-2-thiophen-2-ylethenyl]-5-(trifluoromethyl)pyridine | 2 - 3-chloro-2-[(E)-2-thiophen-2-ylethenyl]-5-(trifluoromethyl)pyridine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off