1-(2-chlorophenyl)-4-[(Z)-2-chloro-3-phenylprop-2-enyl]piperazine
Formula:C19H20N2Cl2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
1-(2-chlorophenyl)-4-[(Z)-2-chloro-3-phenylprop-2-enyl]piperazine is a drug-like molecule.
| MolName | 1-(2-chlorophenyl)-4-[(Z)-2-chloro-3-phenylprop-2-enyl]piperazine |
| MolecularFormula | C19H20N2Cl2 |
| Smiles | Cl/C(/CN(CC1)CCN1c(cccc1)c1Cl)=C\c1ccccc1 |
| InChI | InChI=1S/C19H20Cl2N2/c20-17(14-16-6-2-1-3-7-16)15-22-10-12-23(13-11-22)19-9-5-4-8-18(19)21/h1-9,14H,10-13,15H2 |
| InChIK | CABYLOJWCLWQIT-UHFFFAOYSA-N |
| TotalMolweight | 347.288 |
| Molweight | 347.288 |
| MonoisotopicMass | 346.100352 |
| CLogP | 4.6849 |
| CLogS | -4.488 |
| H Acceptors | 2 |
| TotalSurfaceArea | 264.47 |
| Relative PSA | 0.026846 |
| PolarSurfaceArea | 6.48 |
| Druglikeness | 5.831 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amines | 2 |
| AlkylAmines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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