1-(anthracen-9-ylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
Formula:C28H28N2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
1-(anthracen-9-ylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazine is not a drug-like molecule.
| MolName | 1-(anthracen-9-ylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazine |
| MolecularFormula | C28H28N2 |
| Smiles | C(/C=C/c1ccccc1)N1CCN(Cc2c(cccc3)c3cc3ccccc23)CC1 |
| InChI | InChI=1S/C28H28N2/c1-2-9-23(10-3-1)11-8-16-29-17-19-30(20-18-29)22-28-26-14-6-4-12-24(26)21-25-13-5-7-15-27(25)28/h1-15,21H,16-20,22H2 |
| InChIK | GEDZQGIWVINTMP-UHFFFAOYSA-N |
| TotalMolweight | 392.544 |
| Molweight | 392.544 |
| MonoisotopicMass | 392.225248 |
| CLogP | 5.929 |
| CLogS | -5.751 |
| H Acceptors | 2 |
| TotalSurfaceArea | 318.38 |
| Relative PSA | 0.0223 |
| PolarSurfaceArea | 6.48 |
| Druglikeness | 6.5715 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 8 |
| Symmetricatoms | 10 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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