4-[(5E)-5-[(4-bromophenyl)methylidene]-2-(cyclopenten-1-yl)cyclopenten-1-yl]morpholine
Formula:C21H24NOBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
4-[(5E)-5-[(4-bromophenyl)methylidene]-2-(cyclopenten-1-yl)cyclopenten-1-yl]morpholine is a drug-like molecule.
| MolName | 4-[(5E)-5-[(4-bromophenyl)methylidene]-2-(cyclopenten-1-yl)cyclopenten-1-yl]morpholine |
| MolecularFormula | C21H24NOBr |
| Smiles | Brc1ccc(/C=C(\CC2)/C(N3CCOCC3)=C2C2=CCCC2)cc1 |
| InChI | InChI=1S/C21H24BrNO/c22-19-8-5-16(6-9-19)15-18-7-10-20(17-3-1-2-4-17)21(18)23-11-13-24-14-12-23/h3,5-6,8-9,15H,1-2,4,7,10-14H2 |
| InChIK | SDGSBWBNQHETBC-UHFFFAOYSA-N |
| TotalMolweight | 386.332 |
| Molweight | 386.332 |
| MonoisotopicMass | 385.104125 |
| CLogP | 4.9342 |
| CLogS | -4.424 |
| H Acceptors | 2 |
| TotalSurfaceArea | 267.87 |
| Relative PSA | 0.050584 |
| PolarSurfaceArea | 12.47 |
| Druglikeness | -3.3228 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 11 |
| Symmetricatoms | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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