(E)-3-(3-bromo-4-phenylmethoxyphenyl)-2-cyano-N-(4-fluorophenyl)prop-2-enamide
Formula:C23H16N2O2BrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(3-bromo-4-phenylmethoxyphenyl)-2-cyano-N-(4-fluorophenyl)prop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-(3-bromo-4-phenylmethoxyphenyl)-2-cyano-N-(4-fluorophenyl)prop-2-enamide |
| MolecularFormula | C23H16N2O2BrF |
| Smiles | N#C/C(/C(Nc(cc1)ccc1F)=O)=C\c(cc1)cc(Br)c1OCc1ccccc1 |
| InChI | InChI=1S/C23H16BrFN2O2/c24-21-13-17(6-11-22(21)29-15-16-4-2-1-3-5-16)12-18(14-26)23(28)27-20-9-7-19(25)8-10-20/h1-13H,15H2,(H,27,28) |
| InChIK | LTEZESWWXBFRMS-UHFFFAOYSA-N |
| TotalMolweight | 451.294 |
| Molweight | 451.294 |
| MonoisotopicMass | 450.037917 |
| CLogP | 5.1624 |
| CLogS | -6.259 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 317.15 |
| Relative PSA | 0.15154 |
| PolarSurfaceArea | 62.12 |
| Druglikeness | -5.1136 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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