4-[(5E)-5-[(4-bromophenyl)methylidene]cyclopenten-1-yl]morpholine
Formula:C16H18NOBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
4-[(5E)-5-[(4-bromophenyl)methylidene]cyclopenten-1-yl]morpholine is a drug-like molecule.
| MolName | 4-[(5E)-5-[(4-bromophenyl)methylidene]cyclopenten-1-yl]morpholine |
| MolecularFormula | C16H18NOBr |
| Smiles | Brc1ccc(/C=C2/C(N3CCOCC3)=CCC2)cc1 |
| InChI | InChI=1S/C16H18BrNO/c17-15-6-4-13(5-7-15)12-14-2-1-3-16(14)18-8-10-19-11-9-18/h3-7,12H,1-2,8-11H2 |
| InChIK | GHRXSYVUAUJELE-UHFFFAOYSA-N |
| TotalMolweight | 320.229 |
| Molweight | 320.229 |
| MonoisotopicMass | 319.057175 |
| CLogP | 3.5964 |
| CLogS | -3.508 |
| H Acceptors | 2 |
| TotalSurfaceArea | 217.17 |
| Relative PSA | 0.062394 |
| PolarSurfaceArea | 12.47 |
| Druglikeness | -1.6831 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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