2-[(E)-2-phenylethenyl]pyrrolidine
Formula:C12H15N
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-phenylethenyl]pyrrolidine is a drug-like molecule.
| MolName | 2-[(E)-2-phenylethenyl]pyrrolidine |
| MolecularFormula | C12H15N |
| Smiles | C(C1)CNC1/C=C/c1ccccc1 |
| InChI | InChI=1S/C12H15N/c1-2-5-11(6-3-1)8-9-12-7-4-10-13-12/h1-3,5-6,8-9,12-13H,4,7,10H2/b9-8+/t12-/m0/s1 |
| InChIK | RQGQABZKJKPSSY-BCPZQOPPSA-N |
| TotalMolweight | 173.258 |
| Molweight | 173.258 |
| MonoisotopicMass | 173.120449 |
| CLogP | 2.5002 |
| CLogS | -2.773 |
| H Acceptors | 1 |
| H Donors | 1 |
| TotalSurfaceArea | 151.5 |
| Relative PSA | 0.075644 |
| PolarSurfaceArea | 12.03 |
| Druglikeness | -2.0449 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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