(E)-1-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-one
Formula:C20H21N2OF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-one |
| MolecularFormula | C20H21N2OF |
| Smiles | O=C(/C=C/c1ccccc1)N1CCN(Cc2cccc(F)c2)CC1 |
| InChI | InChI=1S/C20H21FN2O/c21-19-8-4-7-18(15-19)16-22-11-13-23(14-12-22)20(24)10-9-17-5-2-1-3-6-17/h1-10,15H,11-14,16H2 |
| InChIK | UDCXSHUYRWCPDM-UHFFFAOYSA-N |
| TotalMolweight | 324.398 |
| Molweight | 324.398 |
| MonoisotopicMass | 324.163791 |
| CLogP | 3.2914 |
| CLogS | -2.835 |
| H Acceptors | 3 |
| TotalSurfaceArea | 259.52 |
| Relative PSA | 0.077605 |
| PolarSurfaceArea | 23.55 |
| Druglikeness | 5.0224 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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