| MolName | (Z)-3-(furan-2-yl)-N-(2-hydroxyethyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide |
| MolecularFormula | C18H18N2O4 |
| Smiles | OCCNC(/C(/NC(/C=C/c1ccccc1)=O)=C/c1ccco1)=O |
| InChI | InChI=1S/C18H18N2O4/c21-11-10-19-18(23)16(13-15-7-4-12-24-15)20-17(22)9-8-14-5-2-1-3-6-14/h1-9,12-13,21H,10-11H2,(H,19,23)(H,20,22) |
| InChIK | IFATWBJXGZWUFU-UHFFFAOYSA-N |
| TotalMolweight | 326.351 |
| Molweight | 326.351 |
| MonoisotopicMass | 326.126658 |
| CLogP | 1.7126 |
| CLogS | -3.211 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 266.21 |
| Relative PSA | 0.28628 |
| PolarSurfaceArea | 91.57 |
| Druglikeness | 1.9806 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - (Z)-3-(furan-2-yl)-N-(2-hydroxyethyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide | 2 - (Z)-3-(furan-2-yl)-N-(2-hydroxyethyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide