| MolName | (E)-3-(2,4-dichlorophenyl)-N-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-4-nitrophenyl]prop-2-enamide |
| MolecularFormula | C24H15N3O4Cl4 |
| Smiles | [O-][N+](c(ccc(NC(/C=C/c(ccc(Cl)c1)c1Cl)=O)c1)c1NC(/C=C/c(ccc(Cl)c1)c1Cl)=O)=O |
| InChI | InChI=1S/C24H15Cl4N3O4/c25-16-5-1-14(19(27)11-16)3-9-23(32)29-18-7-8-22(31(34)35)21(13-18)30-24(33)10-4-15-2-6-17(26)12-20(15)28/h1-13H,(H,29,32)(H,30,33) |
| InChIK | CUAQHIDVAWZZTQ-UHFFFAOYSA-N |
| TotalMolweight | 551.212 |
| Molweight | 551.212 |
| MonoisotopicMass | 548.981665 |
| CLogP | 6.1154 |
| CLogS | -8.784 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 389.55 |
| Relative PSA | 0.20388 |
| PolarSurfaceArea | 104.02 |
| Druglikeness | -5.4509 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (E)-3-(2,4-dichlorophenyl)-N-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-4-nitrophenyl]prop-2-enamide | 2 - (E)-3-(2,4-dichlorophenyl)-N-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-4-nitrophenyl]prop-2-enamide