| MolName | 3-(2,4-dichlorophenyl)-7-hydroxy-4-phenylchromen-2-one |
| MolecularFormula | C21H12O3Cl2 |
| Smiles | Oc(cc1)cc(O2)c1C(c1ccccc1)=C(c(ccc(Cl)c1)c1Cl)C2=O |
| InChI | InChI=1S/C21H12Cl2O3/c22-13-6-8-15(17(23)10-13)20-19(12-4-2-1-3-5-12)16-9-7-14(24)11-18(16)26-21(20)25/h1-11,24H |
| InChIK | KQLYPOJGTYTULT-UHFFFAOYSA-N |
| TotalMolweight | 383.229 |
| Molweight | 383.229 |
| MonoisotopicMass | 382.016349 |
| CLogP | 5.117 |
| CLogS | -5.708 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 267.14 |
| Relative PSA | 0.13528 |
| PolarSurfaceArea | 46.53 |
| Druglikeness | -0.19243 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 3-(2,4-dichlorophenyl)-7-hydroxy-4-phenylchromen-2-one | 2 - 3-(2,4-dichlorophenyl)-7-hydroxy-4-phenylchromen-2-one