(E)-3-(4-bromophenyl)-1-[3-[(2-fluorophenyl)methylideneamino]phenyl]prop-2-en-1-one
Formula:C22H15NOBrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-bromophenyl)-1-[3-[(2-fluorophenyl)methylideneamino]phenyl]prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-(4-bromophenyl)-1-[3-[(2-fluorophenyl)methylideneamino]phenyl]prop-2-en-1-one |
| MolecularFormula | C22H15NOBrF |
| Smiles | O=C(/C=C/c(cc1)ccc1Br)c1cc(/N=C/c(cccc2)c2F)ccc1 |
| InChI | InChI=1S/C22H15BrFNO/c23-19-11-8-16(9-12-19)10-13-22(26)17-5-3-6-20(14-17)25-15-18-4-1-2-7-21(18)24/h1-15H |
| InChIK | DISPOODHABGKDB-UHFFFAOYSA-N |
| TotalMolweight | 408.269 |
| Molweight | 408.269 |
| MonoisotopicMass | 407.032103 |
| CLogP | 5.5036 |
| CLogS | -6.53 |
| H Acceptors | 2 |
| TotalSurfaceArea | 286.77 |
| Relative PSA | 0.085609 |
| PolarSurfaceArea | 29.43 |
| Druglikeness | -1.9336 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 2 |
| StereoCon |
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