| MolName | (E)-3-(4-fluorophenyl)-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-nitrophenyl]prop-2-enamide |
| MolecularFormula | C24H17N3O4F2 |
| Smiles | [O-][N+](c(ccc(NC(/C=C/c(cc1)ccc1F)=O)c1)c1NC(/C=C/c(cc1)ccc1F)=O)=O |
| InChI | InChI=1S/C24H17F2N3O4/c25-18-7-1-16(2-8-18)5-13-23(30)27-20-11-12-22(29(32)33)21(15-20)28-24(31)14-6-17-3-9-19(26)10-4-17/h1-15H,(H,27,30)(H,28,31) |
| InChIK | XUTHNGDDEMOFKM-UHFFFAOYSA-N |
| TotalMolweight | 449.412 |
| Molweight | 449.412 |
| MonoisotopicMass | 449.118713 |
| CLogP | 3.893 |
| CLogS | -6.468 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 340.57 |
| Relative PSA | 0.2332 |
| PolarSurfaceArea | 104.02 |
| Druglikeness | -6.8783 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (E)-3-(4-fluorophenyl)-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-nitrophenyl]prop-2-enamide | 2 - (E)-3-(4-fluorophenyl)-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-nitrophenyl]prop-2-enamide