(E)-4-[4-(4-fluorobenzoyl)piperidin-1-yl]-4-oxobut-2-enoic acid
Formula:C16H16NO4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4-[4-(4-fluorobenzoyl)piperidin-1-yl]-4-oxobut-2-enoic acid is a drug-like molecule.
| MolName | (E)-4-[4-(4-fluorobenzoyl)piperidin-1-yl]-4-oxobut-2-enoic acid |
| MolecularFormula | C16H16NO4F |
| Smiles | OC(/C=C/C(N(CC1)CCC1C(c(cc1)ccc1F)=O)=O)=O |
| InChI | InChI=1S/C16H16FNO4/c17-13-3-1-11(2-4-13)16(22)12-7-9-18(10-8-12)14(19)5-6-15(20)21/h1-6,12H,7-10H2,(H,20,21) |
| InChIK | CEBRPVBGXKXFOS-UHFFFAOYSA-N |
| TotalMolweight | 305.304 |
| Molweight | 305.304 |
| MonoisotopicMass | 305.106337 |
| CLogP | 1.3581 |
| CLogS | -2.622 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 230.05 |
| Relative PSA | 0.24243 |
| PolarSurfaceArea | 74.68 |
| Druglikeness | 3.1084 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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