(E)-3-(2,6-dichlorophenyl)-N-naphthalen-1-ylprop-2-enamide
Formula:C19H13NOCl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-(2,6-dichlorophenyl)-N-naphthalen-1-ylprop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-(2,6-dichlorophenyl)-N-naphthalen-1-ylprop-2-enamide |
| MolecularFormula | C19H13NOCl2 |
| Smiles | O=C(/C=C/c(c(Cl)ccc1)c1Cl)Nc1cccc2ccccc12 |
| InChI | InChI=1S/C19H13Cl2NO/c20-16-8-4-9-17(21)15(16)11-12-19(23)22-18-10-3-6-13-5-1-2-7-14(13)18/h1-12H,(H,22,23) |
| InChIK | GKRWIYXELUMFNV-UHFFFAOYSA-N |
| TotalMolweight | 342.224 |
| Molweight | 342.224 |
| MonoisotopicMass | 341.037418 |
| CLogP | 5.5427 |
| CLogS | -6.576 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 254.17 |
| Relative PSA | 0.096392 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -0.36294 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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