| MolName | N-[(Z)-3-[2-(cyclohexen-1-yl)ethylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide |
| MolecularFormula | C22H24N2O3 |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C/c1ccco1)NCCC1=CCCCC1 |
| InChI | InChI=1S/C22H24N2O3/c25-21(18-10-5-2-6-11-18)24-20(16-19-12-7-15-27-19)22(26)23-14-13-17-8-3-1-4-9-17/h2,5-8,10-12,15-16H,1,3-4,9,13-14H2,(H,23,26)(H,24,25) |
| InChIK | ODTHWZVDOPDEMI-UHFFFAOYSA-N |
| TotalMolweight | 364.444 |
| Molweight | 364.444 |
| MonoisotopicMass | 364.178693 |
| CLogP | 4.0041 |
| CLogS | -4.68 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 299.61 |
| Relative PSA | 0.21064 |
| PolarSurfaceArea | 71.34 |
| Druglikeness | -2.5737 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - N-[(Z)-3-[2-(cyclohexen-1-yl)ethylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide | 2 - N-[(Z)-3-[2-(cyclohexen-1-yl)ethylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide