(5Z)-5-[(4-bromophenyl)methylidene]-2-(4-fluorophenyl)-3-(4-hydroxyphenyl)imidazol-4-one
Formula:C22H14N2O2BrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(5Z)-5-[(4-bromophenyl)methylidene]-2-(4-fluorophenyl)-3-(4-hydroxyphenyl)imidazol-4-one is a drug-like molecule.
| MolName | (5Z)-5-[(4-bromophenyl)methylidene]-2-(4-fluorophenyl)-3-(4-hydroxyphenyl)imidazol-4-one |
| MolecularFormula | C22H14N2O2BrF |
| Smiles | Oc(cc1)ccc1N(C1=O)C(c(cc2)ccc2F)=N/C1=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C22H14BrFN2O2/c23-16-5-1-14(2-6-16)13-20-22(28)26(18-9-11-19(27)12-10-18)21(25-20)15-3-7-17(24)8-4-15/h1-13,27H |
| InChIK | QKYDTYKAFFPSKP-UHFFFAOYSA-N |
| TotalMolweight | 437.267 |
| Molweight | 437.267 |
| MonoisotopicMass | 436.022267 |
| CLogP | 4.6767 |
| CLogS | -6.118 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 286.34 |
| Relative PSA | 0.14388 |
| PolarSurfaceArea | 52.9 |
| Druglikeness | -0.090522 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (5Z)-5-[(4-bromophenyl)methylidene]-2-(4-fluorophenyl)-3-(4-hydroxyphenyl)imidazol-4-one | 2 - (5Z)-5-[(4-bromophenyl)methylidene]-2-(4-fluorophenyl)-3-(4-hydroxyphenyl)imidazol-4-one
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