(E)-3-(3-chloro-4-fluoroanilino)-1-(4-phenylphenyl)prop-2-en-1-one
Formula:C21H15NOClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(3-chloro-4-fluoroanilino)-1-(4-phenylphenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(3-chloro-4-fluoroanilino)-1-(4-phenylphenyl)prop-2-en-1-one |
| MolecularFormula | C21H15NOClF |
| Smiles | O=C(/C=C/Nc(cc1)cc(Cl)c1F)c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C21H15ClFNO/c22-19-14-18(10-11-20(19)23)24-13-12-21(25)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-14,24H |
| InChIK | VKEOJJLZHMYYDJ-UHFFFAOYSA-N |
| TotalMolweight | 351.807 |
| Molweight | 351.807 |
| MonoisotopicMass | 351.082619 |
| CLogP | 4.8405 |
| CLogS | -6.922 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 270.26 |
| Relative PSA | 0.090653 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -0.68199 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| StereoCon |
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