| MolName | 3-chloro-N-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]benzamide |
| MolecularFormula | C22H15N2O2Cl3 |
| Smiles | O=C(/C=C/c(ccc(Cl)c1)c1Cl)Nc1cc(NC(c2cc(Cl)ccc2)=O)ccc1 |
| InChI | InChI=1S/C22H15Cl3N2O2/c23-16-4-1-3-15(11-16)22(29)27-19-6-2-5-18(13-19)26-21(28)10-8-14-7-9-17(24)12-20(14)25/h1-13H,(H,26,28)(H,27,29) |
| InChIK | FKVRADKHHIQBAT-UHFFFAOYSA-N |
| TotalMolweight | 445.732 |
| Molweight | 445.732 |
| MonoisotopicMass | 444.019909 |
| CLogP | 6.1018 |
| CLogS | -7.218 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 323.96 |
| Relative PSA | 0.15125 |
| PolarSurfaceArea | 58.2 |
| Druglikeness | -0.36294 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Amides | 2 |
| StereoCon |
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1 - 3-chloro-N-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]benzamide | 2 - 3-chloro-N-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]benzamide