(E)-2-cyano-N-(2-fluorophenyl)-3-[4-(2-phenoxyethoxy)phenyl]prop-2-enamide
Formula:C24H19N2O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-N-(2-fluorophenyl)-3-[4-(2-phenoxyethoxy)phenyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-N-(2-fluorophenyl)-3-[4-(2-phenoxyethoxy)phenyl]prop-2-enamide |
| MolecularFormula | C24H19N2O3F |
| Smiles | N#C/C(/C(Nc(cccc1)c1F)=O)=C\c(cc1)ccc1OCCOc1ccccc1 |
| InChI | InChI=1S/C24H19FN2O3/c25-22-8-4-5-9-23(22)27-24(28)19(17-26)16-18-10-12-21(13-11-18)30-15-14-29-20-6-2-1-3-7-20/h1-13,16H,14-15H2,(H,27,28) |
| InChIK | YCMJKCOJGOKGIU-UHFFFAOYSA-N |
| TotalMolweight | 402.424 |
| Molweight | 402.424 |
| MonoisotopicMass | 402.137971 |
| CLogP | 4.4441 |
| CLogS | -5.352 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 322.28 |
| Relative PSA | 0.18015 |
| PolarSurfaceArea | 71.35 |
| Druglikeness | -10.204 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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