(E)-2-cyano-N-(2,6-dichlorophenyl)-3-naphthalen-1-ylprop-2-enamide
Formula:C20H12N2OCl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-2-cyano-N-(2,6-dichlorophenyl)-3-naphthalen-1-ylprop-2-enamide is not a drug-like molecule.
| MolName | (E)-2-cyano-N-(2,6-dichlorophenyl)-3-naphthalen-1-ylprop-2-enamide |
| MolecularFormula | C20H12N2OCl2 |
| Smiles | N#C/C(/C(Nc(c(Cl)ccc1)c1Cl)=O)=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C20H12Cl2N2O/c21-17-9-4-10-18(22)19(17)24-20(25)15(12-23)11-14-7-3-6-13-5-1-2-8-16(13)14/h1-11H,(H,24,25) |
| InChIK | NYGFSCJOEMTXKK-UHFFFAOYSA-N |
| TotalMolweight | 367.234 |
| Molweight | 367.234 |
| MonoisotopicMass | 366.032667 |
| CLogP | 5.3947 |
| CLogS | -6.848 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 274.09 |
| Relative PSA | 0.13886 |
| PolarSurfaceArea | 52.89 |
| Druglikeness | -1.7015 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | twice activated DB |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - (E)-2-cyano-N-(2,6-dichlorophenyl)-3-naphthalen-1-ylprop-2-enamide | 2 - (E)-2-cyano-N-(2,6-dichlorophenyl)-3-naphthalen-1-ylprop-2-enamide
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