| MolName | N-[(Z)-3-[2-(3-fluorophenyl)ethylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide |
| MolecularFormula | C22H19N2O3F |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C/c1ccco1)NCCc1cccc(F)c1 |
| InChI | InChI=1S/C22H19FN2O3/c23-18-9-4-6-16(14-18)11-12-24-22(27)20(15-19-10-5-13-28-19)25-21(26)17-7-2-1-3-8-17/h1-10,13-15H,11-12H2,(H,24,27)(H,25,26) |
| InChIK | PCLKIEVERVEPNW-UHFFFAOYSA-N |
| TotalMolweight | 378.402 |
| Molweight | 378.402 |
| MonoisotopicMass | 378.137971 |
| CLogP | 3.8528 |
| CLogS | -4.797 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 299.47 |
| Relative PSA | 0.21074 |
| PolarSurfaceArea | 71.34 |
| Druglikeness | 1.9362 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - N-[(Z)-3-[2-(3-fluorophenyl)ethylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide | 2 - N-[(Z)-3-[2-(3-fluorophenyl)ethylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide