(E)-1-(4-bromophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]prop-2-en-1-one
Formula:C19H18N2OBrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(4-bromophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(4-bromophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]prop-2-en-1-one |
| MolecularFormula | C19H18N2OBrF |
| Smiles | O=C(/C=C/N(CC1)CCN1c(cc1)ccc1F)c(cc1)ccc1Br |
| InChI | InChI=1S/C19H18BrFN2O/c20-16-3-1-15(2-4-16)19(24)9-10-22-11-13-23(14-12-22)18-7-5-17(21)6-8-18/h1-10H,11-14H2 |
| InChIK | YQCPPEBGFXYLKJ-UHFFFAOYSA-N |
| TotalMolweight | 389.267 |
| Molweight | 389.267 |
| MonoisotopicMass | 388.058652 |
| CLogP | 3.4319 |
| CLogS | -4.479 |
| H Acceptors | 3 |
| TotalSurfaceArea | 264.39 |
| Relative PSA | 0.076175 |
| PolarSurfaceArea | 23.55 |
| Druglikeness | 2.0713 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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