(E)-1-(4-benzoylpiperazin-1-yl)-3-(4-fluorophenyl)prop-2-en-1-one
Formula:C20H19N2O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(4-benzoylpiperazin-1-yl)-3-(4-fluorophenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(4-benzoylpiperazin-1-yl)-3-(4-fluorophenyl)prop-2-en-1-one |
| MolecularFormula | C20H19N2O2F |
| Smiles | O=C(/C=C/c(cc1)ccc1F)N(CC1)CCN1C(c1ccccc1)=O |
| InChI | InChI=1S/C20H19FN2O2/c21-18-9-6-16(7-10-18)8-11-19(24)22-12-14-23(15-13-22)20(25)17-4-2-1-3-5-17/h1-11H,12-15H2 |
| InChIK | IUHSWFZFKUJDND-UHFFFAOYSA-N |
| TotalMolweight | 338.381 |
| Molweight | 338.381 |
| MonoisotopicMass | 338.143056 |
| CLogP | 3.3738 |
| CLogS | -2.964 |
| H Acceptors | 4 |
| TotalSurfaceArea | 263.51 |
| Relative PSA | 0.12592 |
| PolarSurfaceArea | 40.62 |
| Druglikeness | 4.1648 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| Amides | 2 |
| StereoCon |
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