| MolName | (Z)-N-(2,5-dichlorophenyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide |
| MolecularFormula | C19H12N2O4Cl2 |
| Smiles | [O-][N+](c(cccc1)c1-c1ccc(/C=C\C(Nc(cc(cc2)Cl)c2Cl)=O)o1)=O |
| InChI | InChI=1S/C19H12Cl2N2O4/c20-12-5-8-15(21)16(11-12)22-19(24)10-7-13-6-9-18(27-13)14-3-1-2-4-17(14)23(25)26/h1-11H,(H,22,24) |
| InChIK | LQOQYOSYZNXSGY-UHFFFAOYSA-N |
| TotalMolweight | 403.22 |
| Molweight | 403.22 |
| MonoisotopicMass | 402.017412 |
| CLogP | 4.3656 |
| CLogS | -6.89 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 292.69 |
| Relative PSA | 0.23585 |
| PolarSurfaceArea | 88.06 |
| Druglikeness | -3.9291 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (Z)-N-(2,5-dichlorophenyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide | 2 - (Z)-N-(2,5-dichlorophenyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide