| MolName | (Z)-2-cyano-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-(furan-2-ylmethyl)prop-2-enamide |
| MolecularFormula | C19H12N2O3Cl2 |
| Smiles | N#C/C(/C(NCc1ccco1)=O)=C/c1ccc(-c(ccc(Cl)c2)c2Cl)o1 |
| InChI | InChI=1S/C19H12Cl2N2O3/c20-13-3-5-16(17(21)9-13)18-6-4-14(26-18)8-12(10-22)19(24)23-11-15-2-1-7-25-15/h1-9H,11H2,(H,23,24) |
| InChIK | TYRNFFPYGJBPIW-UHFFFAOYSA-N |
| TotalMolweight | 387.221 |
| Molweight | 387.221 |
| MonoisotopicMass | 386.022497 |
| CLogP | 4.0373 |
| CLogS | -6.2 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 292.39 |
| Relative PSA | 0.22668 |
| PolarSurfaceArea | 79.17 |
| Druglikeness | -0.58269 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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1 - (Z)-2-cyano-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-(furan-2-ylmethyl)prop-2-enamide | 2 - (Z)-2-cyano-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-(furan-2-ylmethyl)prop-2-enamide