(E)-3-anilino-N-(2,4-dichlorophenyl)prop-2-enamide
Formula:C15H12N2OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-anilino-N-(2,4-dichlorophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-anilino-N-(2,4-dichlorophenyl)prop-2-enamide |
| MolecularFormula | C15H12N2OCl2 |
| Smiles | O=C(/C=C/Nc1ccccc1)Nc(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C15H12Cl2N2O/c16-11-6-7-14(13(17)10-11)19-15(20)8-9-18-12-4-2-1-3-5-12/h1-10,18H,(H,19,20) |
| InChIK | GNYMWAMYEQPHMN-UHFFFAOYSA-N |
| TotalMolweight | 307.179 |
| Molweight | 307.179 |
| MonoisotopicMass | 306.032667 |
| CLogP | 3.519 |
| CLogS | -4.916 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 231.03 |
| Relative PSA | 0.15565 |
| PolarSurfaceArea | 41.13 |
| Druglikeness | -0.59162 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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