(4Z)-4-[(2,4-dichlorophenyl)methylidene]-2,3-diphenylcyclobut-2-en-1-one
Formula:C23H14OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(4Z)-4-[(2,4-dichlorophenyl)methylidene]-2,3-diphenylcyclobut-2-en-1-one is not a drug-like molecule.
| MolName | (4Z)-4-[(2,4-dichlorophenyl)methylidene]-2,3-diphenylcyclobut-2-en-1-one |
| MolecularFormula | C23H14OCl2 |
| Smiles | O=C(/C1=C\c(ccc(Cl)c2)c2Cl)C(c2ccccc2)=C1c1ccccc1 |
| InChI | InChI=1S/C23H14Cl2O/c24-18-12-11-17(20(25)14-18)13-19-21(15-7-3-1-4-8-15)22(23(19)26)16-9-5-2-6-10-16/h1-14H |
| InChIK | CTSYKSQPDJGUFN-UHFFFAOYSA-N |
| TotalMolweight | 377.269 |
| Molweight | 377.269 |
| MonoisotopicMass | 376.042169 |
| CLogP | 5.8538 |
| CLogS | -5.814 |
| H Acceptors | 1 |
| TotalSurfaceArea | 275.5 |
| Relative PSA | 0.047332 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | 0.52891 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| StereoCon |
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