(E)-3-(2,3,5,6-tetrafluoro-4-piperidin-1-ylphenyl)prop-2-enoate
Formula:C14H12NO2F4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2,3,5,6-tetrafluoro-4-piperidin-1-ylphenyl)prop-2-enoate is a drug-like molecule.
| MolName | (E)-3-(2,3,5,6-tetrafluoro-4-piperidin-1-ylphenyl)prop-2-enoate |
| MolecularFormula | C14H12NO2F4 |
| Smiles | [O-]C(/C=C/c(c(F)c(c(N1CCCCC1)c1F)F)c1F)=O |
| InChI | InChI=1S/C14H13F4NO2/c15-10-8(4-5-9(20)21)11(16)13(18)14(12(10)17)19-6-2-1-3-7-19/h4-5H,1-3,6-7H2,(H,20,21)/p-1 |
| InChIK | DNAZUSLDQICJBN-UHFFFAOYSA-M |
| TotalMolweight | 302.246 |
| Molweight | 302.246 |
| MonoisotopicMass | 302.080416 |
| CLogP | 0.6341 |
| CLogS | -4.247 |
| H Acceptors | 3 |
| TotalSurfaceArea | 216.04 |
| Relative PSA | 0.14289 |
| PolarSurfaceArea | 43.37 |
| Druglikeness | -0.43037 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polyhalo aromatic ring |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (E)-3-(2,3,5,6-tetrafluoro-4-piperidin-1-ylphenyl)prop-2-enoate | 2 - (E)-3-(2,3,5,6-tetrafluoro-4-piperidin-1-ylphenyl)prop-2-enoate
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