(E)-2-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid
Formula:C14H9O2F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid is a drug-like molecule.
| MolName | (E)-2-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid |
| MolecularFormula | C14H9O2F3S |
| Smiles | OC(/C(/c1cccs1)=C\c1ccc(C(F)(F)F)cc1)=O |
| InChI | InChI=1S/C14H9F3O2S/c15-14(16,17)10-5-3-9(4-6-10)8-11(13(18)19)12-2-1-7-20-12/h1-8H,(H,18,19) |
| InChIK | DKVNPTCTFJEWNX-UHFFFAOYSA-N |
| TotalMolweight | 298.283 |
| Molweight | 298.283 |
| MonoisotopicMass | 298.027534 |
| CLogP | 3.5256 |
| CLogS | -3.744 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 207.23 |
| Relative PSA | 0.22439 |
| PolarSurfaceArea | 65.54 |
| Druglikeness | -4.6782 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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