(2-phenylcyclopropyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
Formula:C23H26N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(2-phenylcyclopropyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is a drug-like molecule.
| MolName | (2-phenylcyclopropyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone |
| MolecularFormula | C23H26N2O |
| Smiles | O=C(C(C1)C1c1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 |
| InChI | InChI=1S/C23H26N2O/c26-23(22-18-21(22)20-11-5-2-6-12-20)25-16-14-24(15-17-25)13-7-10-19-8-3-1-4-9-19/h1-12,21-22H,13-18H2 |
| InChIK | MPWBZYSNVJYOTO-UHFFFAOYSA-N |
| TotalMolweight | 346.472 |
| Molweight | 346.472 |
| MonoisotopicMass | 346.204513 |
| CLogP | 4.2413 |
| CLogS | -3.247 |
| H Acceptors | 3 |
| TotalSurfaceArea | 278.43 |
| Relative PSA | 0.072334 |
| PolarSurfaceArea | 23.55 |
| Druglikeness | 8.9882 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | unknown chirality |
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1 - (2-phenylcyclopropyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone | 2 - (2-phenylcyclopropyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
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