(E)-3-(3,4-dichloroanilino)-1-(4-fluorophenyl)prop-2-en-1-one
Formula:C15H10NOCl2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(3,4-dichloroanilino)-1-(4-fluorophenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(3,4-dichloroanilino)-1-(4-fluorophenyl)prop-2-en-1-one |
| MolecularFormula | C15H10NOCl2F |
| Smiles | O=C(/C=C/Nc(cc1)cc(Cl)c1Cl)c(cc1)ccc1F |
| InChI | InChI=1S/C15H10Cl2FNO/c16-13-6-5-12(9-14(13)17)19-8-7-15(20)10-1-3-11(18)4-2-10/h1-9,19H |
| InChIK | VLKYPRNKORRADC-UHFFFAOYSA-N |
| TotalMolweight | 310.154 |
| Molweight | 310.154 |
| MonoisotopicMass | 309.012346 |
| CLogP | 3.7873 |
| CLogS | -5.572 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 225.92 |
| Relative PSA | 0.10845 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -0.68199 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| StereoCon |
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