(E)-N-[(3,4-dichlorophenyl)methyl]-3-quinolin-3-ylprop-2-enamide
Formula:C19H14N2OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[(3,4-dichlorophenyl)methyl]-3-quinolin-3-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[(3,4-dichlorophenyl)methyl]-3-quinolin-3-ylprop-2-enamide |
| MolecularFormula | C19H14N2OCl2 |
| Smiles | O=C(/C=C/c1cc2ccccc2nc1)NCc(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C19H14Cl2N2O/c20-16-7-5-14(10-17(16)21)12-23-19(24)8-6-13-9-15-3-1-2-4-18(15)22-11-13/h1-11H,12H2,(H,23,24) |
| InChIK | ZLSXOOUNCYOLBV-UHFFFAOYSA-N |
| TotalMolweight | 357.239 |
| Molweight | 357.239 |
| MonoisotopicMass | 356.048317 |
| CLogP | 4.3737 |
| CLogS | -5.492 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 266.69 |
| Relative PSA | 0.133 |
| PolarSurfaceArea | 41.99 |
| Druglikeness | 0.16321 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (E)-N-[(3,4-dichlorophenyl)methyl]-3-quinolin-3-ylprop-2-enamide | 2 - (E)-N-[(3,4-dichlorophenyl)methyl]-3-quinolin-3-ylprop-2-enamide
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