(E)-3-(4-chlorophenyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]prop-2-en-1-one
Formula:C19H18N2OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(E)-3-(4-chlorophenyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(4-chlorophenyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]prop-2-en-1-one |
| MolecularFormula | C19H18N2OCl2 |
| Smiles | O=C(/C=C/c(cc1)ccc1Cl)N(CC1)CCN1c(cc1)ccc1Cl |
| InChI | InChI=1S/C19H18Cl2N2O/c20-16-4-1-15(2-5-16)3-10-19(24)23-13-11-22(12-14-23)18-8-6-17(21)7-9-18/h1-10H,11-14H2 |
| InChIK | HWLZBYJMCVPQLE-UHFFFAOYSA-N |
| TotalMolweight | 361.271 |
| Molweight | 361.271 |
| MonoisotopicMass | 360.079617 |
| CLogP | 4.4797 |
| CLogS | -4.515 |
| H Acceptors | 3 |
| TotalSurfaceArea | 270.25 |
| Relative PSA | 0.074524 |
| PolarSurfaceArea | 23.55 |
| Druglikeness | 5.51 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.70833 |
| 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 | 6 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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