(E)-2-cyano-3-[3-(2-phenoxyethoxy)phenyl]prop-2-enamide
Formula:C18H16N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(E)-2-cyano-3-[3-(2-phenoxyethoxy)phenyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-3-[3-(2-phenoxyethoxy)phenyl]prop-2-enamide |
| MolecularFormula | C18H16N2O3 |
| Smiles | NC(/C(/C#N)=C/c1cc(OCCOc2ccccc2)ccc1)=O |
| InChI | InChI=1S/C18H16N2O3/c19-13-15(18(20)21)11-14-5-4-8-17(12-14)23-10-9-22-16-6-2-1-3-7-16/h1-8,11-12H,9-10H2,(H2,20,21) |
| InChIK | VVRCBMLVOYYVIL-UHFFFAOYSA-N |
| TotalMolweight | 308.336 |
| Molweight | 308.336 |
| MonoisotopicMass | 308.116093 |
| CLogP | 2.2831 |
| CLogS | -3.615 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 253.23 |
| Relative PSA | 0.24432 |
| PolarSurfaceArea | 85.34 |
| Druglikeness | -10.251 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (E)-2-cyano-3-[3-(2-phenoxyethoxy)phenyl]prop-2-enamide | 2 - (E)-2-cyano-3-[3-(2-phenoxyethoxy)phenyl]prop-2-enamide
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