(E)-3-(4-bromo-2-fluoroanilino)-1-naphthalen-1-ylprop-2-en-1-one
Formula:C19H13NOBrF
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-3-(4-bromo-2-fluoroanilino)-1-naphthalen-1-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(4-bromo-2-fluoroanilino)-1-naphthalen-1-ylprop-2-en-1-one |
| MolecularFormula | C19H13NOBrF |
| Smiles | O=C(/C=C/Nc(ccc(Br)c1)c1F)c1cccc2ccccc12 |
| InChI | InChI=1S/C19H13BrFNO/c20-14-8-9-18(17(21)12-14)22-11-10-19(23)16-7-3-5-13-4-1-2-6-15(13)16/h1-12,22H |
| InChIK | VKHOUMKIKKDKCY-UHFFFAOYSA-N |
| TotalMolweight | 370.22 |
| Molweight | 370.22 |
| MonoisotopicMass | 369.016453 |
| CLogP | 4.4949 |
| CLogS | -6.54 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 248.31 |
| Relative PSA | 0.098667 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -2.5447 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| StereoCon |
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