(3Z)-3-[(2,4-dichlorophenyl)methylidene]-2-phenylchromen-4-one
Formula:C22H14O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-3-[(2,4-dichlorophenyl)methylidene]-2-phenylchromen-4-one is not a drug-like molecule.
| MolName | (3Z)-3-[(2,4-dichlorophenyl)methylidene]-2-phenylchromen-4-one |
| MolecularFormula | C22H14O2Cl2 |
| Smiles | O=C(/C1=C\c(ccc(Cl)c2)c2Cl)c(cccc2)c2OC1c1ccccc1 |
| InChI | InChI=1S/C22H14Cl2O2/c23-16-11-10-15(19(24)13-16)12-18-21(25)17-8-4-5-9-20(17)26-22(18)14-6-2-1-3-7-14/h1-13,22H/t22-/m1/s1 |
| InChIK | LXKBGZGYHRXSIO-JOCHJYFZSA-N |
| TotalMolweight | 381.257 |
| Molweight | 381.257 |
| MonoisotopicMass | 380.037084 |
| CLogP | 6.152 |
| CLogS | -6.394 |
| H Acceptors | 2 |
| TotalSurfaceArea | 275.08 |
| Relative PSA | 0.083757 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | 0.74681 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon | racemate |
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1 - (3Z)-3-[(2,4-dichlorophenyl)methylidene]-2-phenylchromen-4-one | 2 - (3Z)-3-[(2,4-dichlorophenyl)methylidene]-2-phenylchromen-4-one
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