(5Z)-5-[(4-bromophenyl)methylidene]-2-(4-fluorophenyl)-3-phenylimidazol-4-one
Formula:C22H14N2OBrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(5Z)-5-[(4-bromophenyl)methylidene]-2-(4-fluorophenyl)-3-phenylimidazol-4-one is not a drug-like molecule.
| MolName | (5Z)-5-[(4-bromophenyl)methylidene]-2-(4-fluorophenyl)-3-phenylimidazol-4-one |
| MolecularFormula | C22H14N2OBrF |
| Smiles | O=C(/C(/N=C1c(cc2)ccc2F)=C/c(cc2)ccc2Br)N1c1ccccc1 |
| InChI | InChI=1S/C22H14BrFN2O/c23-17-10-6-15(7-11-17)14-20-22(27)26(19-4-2-1-3-5-19)21(25-20)16-8-12-18(24)13-9-16/h1-14H |
| InChIK | DHZZTGGCNLIZDM-UHFFFAOYSA-N |
| TotalMolweight | 421.268 |
| Molweight | 421.268 |
| MonoisotopicMass | 420.027352 |
| CLogP | 5.0224 |
| CLogS | -6.414 |
| H Acceptors | 3 |
| TotalSurfaceArea | 279.99 |
| Relative PSA | 0.10036 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | -0.0935 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 6 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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