(E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoate
Formula:C10H6O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoate is a drug-like molecule.
| MolName | (E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoate |
| MolecularFormula | C10H6O3F3 |
| Smiles | [O-]C(/C=C/c(cc1)ccc1OC(F)(F)F)=O |
| InChI | InChI=1S/C10H7F3O3/c11-10(12,13)16-8-4-1-7(2-5-8)3-6-9(14)15/h1-6H,(H,14,15)/p-1 |
| InChIK | RNYVTJANWYBGPW-UHFFFAOYSA-M |
| TotalMolweight | 231.149 |
| Molweight | 231.149 |
| MonoisotopicMass | 231.026904 |
| CLogP | 0.4969 |
| CLogS | -3.022 |
| H Acceptors | 3 |
| TotalSurfaceArea | 164.5 |
| Relative PSA | 0.22687 |
| PolarSurfaceArea | 49.36 |
| Druglikeness | -8.6252 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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