(E)-2-cyano-N-(4-phenoxyphenyl)-3-phenylprop-2-enamide
Formula:C22H16N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-N-(4-phenoxyphenyl)-3-phenylprop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-N-(4-phenoxyphenyl)-3-phenylprop-2-enamide |
| MolecularFormula | C22H16N2O2 |
| Smiles | N#C/C(/C(Nc(cc1)ccc1Oc1ccccc1)=O)=C\c1ccccc1 |
| InChI | InChI=1S/C22H16N2O2/c23-16-18(15-17-7-3-1-4-8-17)22(25)24-19-11-13-21(14-12-19)26-20-9-5-2-6-10-20/h1-15H,(H,24,25) |
| InChIK | GTPKXCJHSVKYTP-UHFFFAOYSA-N |
| TotalMolweight | 340.381 |
| Molweight | 340.381 |
| MonoisotopicMass | 340.121178 |
| CLogP | 4.3839 |
| CLogS | -6.067 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 278.41 |
| Relative PSA | 0.17262 |
| PolarSurfaceArea | 62.12 |
| Druglikeness | -1.7936 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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