(E)-3-(3-bromophenyl)-1-[4-(3-chlorophenyl)piperazin-1-yl]prop-2-en-1-one
Formula:C19H18N2OBrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(3-bromophenyl)-1-[4-(3-chlorophenyl)piperazin-1-yl]prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(3-bromophenyl)-1-[4-(3-chlorophenyl)piperazin-1-yl]prop-2-en-1-one |
| MolecularFormula | C19H18N2OBrCl |
| Smiles | O=C(/C=C/c1cccc(Br)c1)N(CC1)CCN1c1cc(Cl)ccc1 |
| InChI | InChI=1S/C19H18BrClN2O/c20-16-4-1-3-15(13-16)7-8-19(24)23-11-9-22(10-12-23)18-6-2-5-17(21)14-18/h1-8,13-14H,9-12H2 |
| InChIK | DEUCOTHCSRIRSQ-UHFFFAOYSA-N |
| TotalMolweight | 405.722 |
| Molweight | 405.722 |
| MonoisotopicMass | 404.029101 |
| CLogP | 4.5989 |
| CLogS | -4.613 |
| H Acceptors | 3 |
| TotalSurfaceArea | 273.46 |
| Relative PSA | 0.073649 |
| PolarSurfaceArea | 23.55 |
| Druglikeness | 3.72 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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