(E)-3-(4-chloroanilino)-N-(2,4-dichlorophenyl)prop-2-enamide
Formula:C15H11N2OCl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-chloroanilino)-N-(2,4-dichlorophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(4-chloroanilino)-N-(2,4-dichlorophenyl)prop-2-enamide |
| MolecularFormula | C15H11N2OCl3 |
| Smiles | O=C(/C=C/Nc(cc1)ccc1Cl)Nc(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C15H11Cl3N2O/c16-10-1-4-12(5-2-10)19-8-7-15(21)20-14-6-3-11(17)9-13(14)18/h1-9,19H,(H,20,21) |
| InChIK | WFBIWGBHWXVHHS-UHFFFAOYSA-N |
| TotalMolweight | 341.624 |
| Molweight | 341.624 |
| MonoisotopicMass | 339.993694 |
| CLogP | 4.125 |
| CLogS | -5.652 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 246.45 |
| Relative PSA | 0.14591 |
| PolarSurfaceArea | 41.13 |
| Druglikeness | -0.59162 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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