(3E)-3-[(4-bromophenyl)methylidene]-6-chlorochromen-4-one
Formula:C16H10O2BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-[(4-bromophenyl)methylidene]-6-chlorochromen-4-one is a drug-like molecule.
| MolName | (3E)-3-[(4-bromophenyl)methylidene]-6-chlorochromen-4-one |
| MolecularFormula | C16H10O2BrCl |
| Smiles | O=C1c(cc(cc2)Cl)c2OC/C1=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C16H10BrClO2/c17-12-3-1-10(2-4-12)7-11-9-20-15-6-5-13(18)8-14(15)16(11)19/h1-8H,9H2 |
| InChIK | QZOHFIVVGJOYML-UHFFFAOYSA-N |
| TotalMolweight | 349.61 |
| Molweight | 349.61 |
| MonoisotopicMass | 347.955268 |
| CLogP | 4.755 |
| CLogS | -5.398 |
| H Acceptors | 2 |
| TotalSurfaceArea | 219.79 |
| Relative PSA | 0.10483 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | -1.5105 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - (3E)-3-[(4-bromophenyl)methylidene]-6-chlorochromen-4-one | 2 - (3E)-3-[(4-bromophenyl)methylidene]-6-chlorochromen-4-one
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