(E)-4-oxo-4-[(3R)-3-(trifluoromethyl)piperidin-1-yl]but-2-enoate
Formula:C10H11NO3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4-oxo-4-[(3R)-3-(trifluoromethyl)piperidin-1-yl]but-2-enoate is a drug-like molecule.
| MolName | (E)-4-oxo-4-[(3R)-3-(trifluoromethyl)piperidin-1-yl]but-2-enoate |
| MolecularFormula | C10H11NO3F3 |
| Smiles | [O-]C(/C=C/C(N(CCC1)C[C@@H]1C(F)(F)F)=O)=O |
| InChI | InChI=1S/C10H12F3NO3/c11-10(12,13)7-2-1-5-14(6-7)8(15)3-4-9(16)17/h3-4,7H,1-2,5-6H2,(H,16,17)/p-1/t7-/m1/s1 |
| InChIK | GJQYNPBSUHYCRY-SSDOTTSWSA-M |
| TotalMolweight | 250.195 |
| Molweight | 250.195 |
| MonoisotopicMass | 250.069103 |
| CLogP | -0.888 |
| CLogS | -1.732 |
| H Acceptors | 4 |
| TotalSurfaceArea | 176.83 |
| Relative PSA | 0.24832 |
| PolarSurfaceArea | 60.44 |
| Druglikeness | -4.9132 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
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