(E)-2-(3,5-difluorophenyl)-3-thiophen-3-ylprop-2-enoic acid
Formula:C13H8O2F2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(3,5-difluorophenyl)-3-thiophen-3-ylprop-2-enoic acid is a drug-like molecule.
| MolName | (E)-2-(3,5-difluorophenyl)-3-thiophen-3-ylprop-2-enoic acid |
| MolecularFormula | C13H8O2F2S |
| Smiles | OC(/C(/c1cc(F)cc(F)c1)=C/c1cscc1)=O |
| InChI | InChI=1S/C13H8F2O2S/c14-10-4-9(5-11(15)6-10)12(13(16)17)3-8-1-2-18-7-8/h1-7H,(H,16,17) |
| InChIK | JYJVZVFMPKYTSG-UHFFFAOYSA-N |
| TotalMolweight | 266.267 |
| Molweight | 266.267 |
| MonoisotopicMass | 266.021306 |
| CLogP | 2.7967 |
| CLogS | -3.484 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 190.47 |
| Relative PSA | 0.24413 |
| PolarSurfaceArea | 65.54 |
| Druglikeness | -0.59097 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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