N-[(E)-1-(4-bromophenyl)-3-(4-chloroanilino)-3-oxoprop-1-en-2-yl]benzamide
Formula:C22H16N2O2BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-1-(4-bromophenyl)-3-(4-chloroanilino)-3-oxoprop-1-en-2-yl]benzamide is not a drug-like molecule.
| MolName | N-[(E)-1-(4-bromophenyl)-3-(4-chloroanilino)-3-oxoprop-1-en-2-yl]benzamide |
| MolecularFormula | C22H16N2O2BrCl |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C\c(cc1)ccc1Br)Nc(cc1)ccc1Cl |
| InChI | InChI=1S/C22H16BrClN2O2/c23-17-8-6-15(7-9-17)14-20(26-21(27)16-4-2-1-3-5-16)22(28)25-19-12-10-18(24)11-13-19/h1-14H,(H,25,28)(H,26,27) |
| InChIK | YVJQDCQUHXUWMW-UHFFFAOYSA-N |
| TotalMolweight | 455.738 |
| Molweight | 455.738 |
| MonoisotopicMass | 454.008366 |
| CLogP | 5.755 |
| CLogS | -6.443 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 309.96 |
| Relative PSA | 0.15808 |
| PolarSurfaceArea | 58.2 |
| Druglikeness | 1.2505 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 6 |
| Amides | 2 |
| StereoCon |
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