1-[(E)-2-(2-nitro-5-phenylmethoxyphenyl)ethenyl]pyrrolidine
Formula:C19H20N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(E)-2-(2-nitro-5-phenylmethoxyphenyl)ethenyl]pyrrolidine is a drug-like molecule.
| MolName | 1-[(E)-2-(2-nitro-5-phenylmethoxyphenyl)ethenyl]pyrrolidine |
| MolecularFormula | C19H20N2O3 |
| Smiles | [O-][N+](c(cc1)c(/C=C/N2CCCC2)cc1OCc1ccccc1)=O |
| InChI | InChI=1S/C19H20N2O3/c22-21(23)19-9-8-18(24-15-16-6-2-1-3-7-16)14-17(19)10-13-20-11-4-5-12-20/h1-3,6-10,13-14H,4-5,11-12,15H2 |
| InChIK | MGEKYRBCSOMJOW-UHFFFAOYSA-N |
| TotalMolweight | 324.379 |
| Molweight | 324.379 |
| MonoisotopicMass | 324.147393 |
| CLogP | 1.8861 |
| CLogS | -4.316 |
| H Acceptors | 5 |
| TotalSurfaceArea | 258.79 |
| Relative PSA | 0.16991 |
| PolarSurfaceArea | 58.29 |
| Druglikeness | -3.5407 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 1-[(E)-2-(2-nitro-5-phenylmethoxyphenyl)ethenyl]pyrrolidine | 2 - 1-[(E)-2-(2-nitro-5-phenylmethoxyphenyl)ethenyl]pyrrolidine
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