1-(3-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
Formula:C19H21N2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(3-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine is a drug-like molecule.
| MolName | 1-(3-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine |
| MolecularFormula | C19H21N2Cl |
| Smiles | Clc1cc(N2CCN(C/C=C/c3ccccc3)CC2)ccc1 |
| InChI | InChI=1S/C19H21ClN2/c20-18-9-4-10-19(16-18)22-14-12-21(13-15-22)11-5-8-17-6-2-1-3-7-17/h1-10,16H,11-15H2 |
| InChIK | HBZZIGDALTUUSP-UHFFFAOYSA-N |
| TotalMolweight | 312.843 |
| Molweight | 312.843 |
| MonoisotopicMass | 312.139325 |
| CLogP | 4.2233 |
| CLogS | -3.797 |
| H Acceptors | 2 |
| TotalSurfaceArea | 250.84 |
| Relative PSA | 0.028305 |
| PolarSurfaceArea | 6.48 |
| Druglikeness | 6.2027 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amines | 2 |
| AlkylAmines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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