(3Z)-3-[(4-bromophenyl)methylidene]-2-phenylchromen-4-one
Formula:C22H15O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-3-[(4-bromophenyl)methylidene]-2-phenylchromen-4-one is not a drug-like molecule.
| MolName | (3Z)-3-[(4-bromophenyl)methylidene]-2-phenylchromen-4-one |
| MolecularFormula | C22H15O2Br |
| Smiles | O=C(/C1=C\c(cc2)ccc2Br)c(cccc2)c2OC1c1ccccc1 |
| InChI | InChI=1S/C22H15BrO2/c23-17-12-10-15(11-13-17)14-19-21(24)18-8-4-5-9-20(18)25-22(19)16-6-2-1-3-7-16/h1-14,22H/t22-/m1/s1 |
| InChIK | BOYUWRVHTCLLJC-JOCHJYFZSA-N |
| TotalMolweight | 391.263 |
| Molweight | 391.263 |
| MonoisotopicMass | 390.025541 |
| CLogP | 5.6652 |
| CLogS | -5.756 |
| H Acceptors | 2 |
| TotalSurfaceArea | 262.87 |
| Relative PSA | 0.087648 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | -1.1295 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon | racemate |
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