(E)-N,N-dibenzyl-3-(2-chloro-6-fluorophenyl)prop-2-enamide
Formula:C23H19NOClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N,N-dibenzyl-3-(2-chloro-6-fluorophenyl)prop-2-enamide is not a drug-like molecule.
| MolName | (E)-N,N-dibenzyl-3-(2-chloro-6-fluorophenyl)prop-2-enamide |
| MolecularFormula | C23H19NOClF |
| Smiles | O=C(/C=C/c(c(F)ccc1)c1Cl)N(Cc1ccccc1)Cc1ccccc1 |
| InChI | InChI=1S/C23H19ClFNO/c24-21-12-7-13-22(25)20(21)14-15-23(27)26(16-18-8-3-1-4-9-18)17-19-10-5-2-6-11-19/h1-15H,16-17H2 |
| InChIK | XCIIIHUSSKGDGZ-UHFFFAOYSA-N |
| TotalMolweight | 379.861 |
| Molweight | 379.861 |
| MonoisotopicMass | 379.113919 |
| CLogP | 5.2371 |
| CLogS | -5.325 |
| H Acceptors | 2 |
| TotalSurfaceArea | 296.62 |
| Relative PSA | 0.05593 |
| PolarSurfaceArea | 20.31 |
| Druglikeness | 0.7165 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 9 |
| Amides | 1 |
| StereoCon |
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