(E)-2-benzoyl-3-[4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enenitrile
Formula:C23H16NO2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(E)-2-benzoyl-3-[4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-benzoyl-3-[4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enenitrile |
| MolecularFormula | C23H16NO2F |
| Smiles | N#C/C(/C(c1ccccc1)=O)=C\c(cc1)ccc1OCc(cc1)ccc1F |
| InChI | InChI=1S/C23H16FNO2/c24-21-10-6-18(7-11-21)16-27-22-12-8-17(9-13-22)14-20(15-25)23(26)19-4-2-1-3-5-19/h1-14H,16H2 |
| InChIK | PTSQEZCMFWHTGZ-UHFFFAOYSA-N |
| TotalMolweight | 357.383 |
| Molweight | 357.383 |
| MonoisotopicMass | 357.116507 |
| CLogP | 4.6047 |
| CLogS | -5.767 |
| H Acceptors | 3 |
| TotalSurfaceArea | 287.06 |
| Relative PSA | 0.1275 |
| PolarSurfaceArea | 50.09 |
| Druglikeness | -5.3651 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.66667 |
| 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 | 6 |
| StereoCon |
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