S-[5-(trifluoromethyl)pyridin-2-yl] (Z)-3-thiophen-2-yl-2-thiophen-3-ylprop-2-enethioate
Formula:C17H10NOF3S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
S-[5-(trifluoromethyl)pyridin-2-yl] (Z)-3-thiophen-2-yl-2-thiophen-3-ylprop-2-enethioate is a drug-like molecule.
| MolName | S-[5-(trifluoromethyl)pyridin-2-yl] (Z)-3-thiophen-2-yl-2-thiophen-3-ylprop-2-enethioate |
| MolecularFormula | C17H10NOF3S3 |
| Smiles | O=C(/C(/c1cscc1)=C\c1cccs1)Sc1ncc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C17H10F3NOS3/c18-17(19,20)12-3-4-15(21-9-12)25-16(22)14(11-5-7-23-10-11)8-13-2-1-6-24-13/h1-10H |
| InChIK | IAGOCNALKPNOAF-UHFFFAOYSA-N |
| TotalMolweight | 397.464 |
| Molweight | 397.464 |
| MonoisotopicMass | 396.987658 |
| CLogP | 4.2157 |
| CLogS | -3.999 |
| H Acceptors | 2 |
| TotalSurfaceArea | 272.83 |
| Relative PSA | 0.30136 |
| PolarSurfaceArea | 111.74 |
| Druglikeness | -4.9663 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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