2-[(E)-2-(4-chlorophenyl)ethenyl]-7-hydroxy-3-phenylchromen-4-one
Formula:C23H15O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
2-[(E)-2-(4-chlorophenyl)ethenyl]-7-hydroxy-3-phenylchromen-4-one is not a drug-like molecule.
| MolName | 2-[(E)-2-(4-chlorophenyl)ethenyl]-7-hydroxy-3-phenylchromen-4-one |
| MolecularFormula | C23H15O3Cl |
| Smiles | Oc(cc1)cc(OC(/C=C/c(cc2)ccc2Cl)=C2c3ccccc3)c1C2=O |
| InChI | InChI=1S/C23H15ClO3/c24-17-9-6-15(7-10-17)8-13-20-22(16-4-2-1-3-5-16)23(26)19-12-11-18(25)14-21(19)27-20/h1-14,25H |
| InChIK | KMVCLVTYYMZKAU-UHFFFAOYSA-N |
| TotalMolweight | 374.822 |
| Molweight | 374.822 |
| MonoisotopicMass | 374.070972 |
| CLogP | 5.3667 |
| CLogS | -5.851 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 278.22 |
| Relative PSA | 0.1299 |
| PolarSurfaceArea | 46.53 |
| Druglikeness | 0.40113 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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