1-[(3-phenoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
Formula:C26H28N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(3-phenoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine is a drug-like molecule.
| MolName | 1-[(3-phenoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine |
| MolecularFormula | C26H28N2O |
| Smiles | C(/C=C/c1ccccc1)N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 |
| InChI | InChI=1S/C26H28N2O/c1-3-9-23(10-4-1)12-8-16-27-17-19-28(20-18-27)22-24-11-7-15-26(21-24)29-25-13-5-2-6-14-25/h1-15,21H,16-20,22H2 |
| InChIK | VFNJIMLXPQEYRD-UHFFFAOYSA-N |
| TotalMolweight | 384.521 |
| Molweight | 384.521 |
| MonoisotopicMass | 384.220163 |
| CLogP | 4.9358 |
| CLogS | -4.836 |
| H Acceptors | 3 |
| TotalSurfaceArea | 318.94 |
| Relative PSA | 0.053615 |
| PolarSurfaceArea | 15.71 |
| Druglikeness | 6.2405 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68966 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 9 |
| Symmetricatoms | 6 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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