4-[(5E)-5-benzylidenecyclopenten-1-yl]morpholine
Formula:C16H19NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(5E)-5-benzylidenecyclopenten-1-yl]morpholine is a drug-like molecule.
| MolName | 4-[(5E)-5-benzylidenecyclopenten-1-yl]morpholine |
| MolecularFormula | C16H19NO |
| Smiles | C(C/C1=C\c2ccccc2)C=C1N1CCOCC1 |
| InChI | InChI=1S/C16H19NO/c1-2-5-14(6-3-1)13-15-7-4-8-16(15)17-9-11-18-12-10-17/h1-3,5-6,8,13H,4,7,9-12H2 |
| InChIK | LQUYXHJQRGYRJR-UHFFFAOYSA-N |
| TotalMolweight | 241.333 |
| Molweight | 241.333 |
| MonoisotopicMass | 241.146664 |
| CLogP | 2.8712 |
| CLogS | -2.674 |
| H Acceptors | 2 |
| TotalSurfaceArea | 198.54 |
| Relative PSA | 0.068248 |
| PolarSurfaceArea | 12.47 |
| Druglikeness | 0.10695 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| 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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