1-benzyl-3-phenyl-4-[(E)-2-phenylethenyl]pyrrolidine
Formula:C25H25N
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-benzyl-3-phenyl-4-[(E)-2-phenylethenyl]pyrrolidine is not a drug-like molecule.
| MolName | 1-benzyl-3-phenyl-4-[(E)-2-phenylethenyl]pyrrolidine |
| MolecularFormula | C25H25N |
| Smiles | C(c1ccccc1)N(CC1/C=C/c2ccccc2)CC1c1ccccc1 |
| InChI | InChI=1S/C25H25N/c1-4-10-21(11-5-1)16-17-24-19-26(18-22-12-6-2-7-13-22)20-25(24)23-14-8-3-9-15-23/h1-17,24-25H,18-20H2/b17-16+ |
| InChIK | MZPPACAQDYUROX-WUKNDPDISA-N |
| TotalMolweight | 339.481 |
| Molweight | 339.481 |
| MonoisotopicMass | 339.198699 |
| CLogP | 5.8602 |
| CLogS | -4.749 |
| H Acceptors | 1 |
| TotalSurfaceArea | 282.36 |
| Relative PSA | 0.012573 |
| PolarSurfaceArea | 3.24 |
| Druglikeness | 3.115 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| StereoCenters | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | unknown chirality |
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