1-[(E)-3-phenylprop-2-enyl]-4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine
Formula:C23H28N2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(E)-3-phenylprop-2-enyl]-4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine is a drug-like molecule.
| MolName | 1-[(E)-3-phenylprop-2-enyl]-4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine |
| MolecularFormula | C23H28N2 |
| Smiles | C(/C=C/c1ccccc1)N(CC1)CCN1C(CC1)Cc2c1cccc2 |
| InChI | InChI=1S/C23H28N2/c1-2-7-20(8-3-1)9-6-14-24-15-17-25(18-16-24)23-13-12-21-10-4-5-11-22(21)19-23/h1-11,23H,12-19H2/t23-/m0/s1 |
| InChIK | RAIMARIHCIACFL-QHCPKHFHSA-N |
| TotalMolweight | 332.489 |
| Molweight | 332.489 |
| MonoisotopicMass | 332.225248 |
| CLogP | 4.4422 |
| CLogS | -3.348 |
| H Acceptors | 2 |
| TotalSurfaceArea | 275.7 |
| Relative PSA | 0.025753 |
| PolarSurfaceArea | 6.48 |
| Druglikeness | 5.5608 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 11 |
| Symmetricatoms | 4 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon | racemate |
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1 - 1-[(E)-3-phenylprop-2-enyl]-4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine | 2 - 1-[(E)-3-phenylprop-2-enyl]-4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine
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