| MolName | (E)-3-(3-chlorophenyl)-N-[6-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]pyridin-2-yl]prop-2-enamide |
| MolecularFormula | C23H17N3O2Cl2 |
| Smiles | O=C(/C=C/c1cc(Cl)ccc1)Nc1cccc(NC(/C=C/c2cccc(Cl)c2)=O)n1 |
| InChI | InChI=1S/C23H17Cl2N3O2/c24-18-6-1-4-16(14-18)10-12-22(29)27-20-8-3-9-21(26-20)28-23(30)13-11-17-5-2-7-19(25)15-17/h1-15H,(H2,26,27,28,29,30) |
| InChIK | IETYUWYYDAQLOU-UHFFFAOYSA-N |
| TotalMolweight | 438.313 |
| Molweight | 438.313 |
| MonoisotopicMass | 437.069781 |
| CLogP | 5.5269 |
| CLogS | -7.107 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 333.8 |
| Relative PSA | 0.17966 |
| PolarSurfaceArea | 71.09 |
| Druglikeness | -0.36294 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 14 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (E)-3-(3-chlorophenyl)-N-[6-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]pyridin-2-yl]prop-2-enamide | 2 - (E)-3-(3-chlorophenyl)-N-[6-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]pyridin-2-yl]prop-2-enamide