(Z)-4,4,4-trifluoro-3-phenylbut-2-enoate
Formula:C10H6O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-4,4,4-trifluoro-3-phenylbut-2-enoate is a drug-like molecule.
| MolName | (Z)-4,4,4-trifluoro-3-phenylbut-2-enoate |
| MolecularFormula | C10H6O2F3 |
| Smiles | [O-]C(/C=C(\C(F)(F)F)/c1ccccc1)=O |
| InChI | InChI=1S/C10H7F3O2/c11-10(12,13)8(6-9(14)15)7-4-2-1-3-5-7/h1-6H,(H,14,15)/p-1 |
| InChIK | IZLDRXUDBMVNKB-UHFFFAOYSA-M |
| TotalMolweight | 215.15 |
| Molweight | 215.15 |
| MonoisotopicMass | 215.031989 |
| CLogP | 0.1026 |
| CLogS | -2.468 |
| H Acceptors | 2 |
| TotalSurfaceArea | 152.71 |
| Relative PSA | 0.1789 |
| PolarSurfaceArea | 40.13 |
| Druglikeness | -7.3932 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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