| MolName | 2-(3,4-dimethoxyphenyl)-3-[2-(4-methoxyphenoxy)ethoxy]-6,8-dimethylchromen-4-one |
| MolecularFormula | C28H28O7 |
| Smiles | Cc(cc1C)cc(C2=O)c1OC(c(cc1)cc(OC)c1OC)=C2OCCOc(cc1)ccc1OC |
| InChI | InChI=1S/C28H28O7/c1-17-14-18(2)26-22(15-17)25(29)28(34-13-12-33-21-9-7-20(30-3)8-10-21)27(35-26)19-6-11-23(31-4)24(16-19)32-5/h6-11,14-16H,12-13H2,1-5H3 |
| InChIK | KULZSAZIJPBGNJ-UHFFFAOYSA-N |
| TotalMolweight | 476.523 |
| Molweight | 476.523 |
| MonoisotopicMass | 476.183505 |
| CLogP | 5.2037 |
| CLogS | -5.795 |
| H Acceptors | 7 |
| TotalSurfaceArea | 368.77 |
| Relative PSA | 0.19806 |
| PolarSurfaceArea | 72.45 |
| Druglikeness | -7.2143 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.51429 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 13 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 2-(3,4-dimethoxyphenyl)-3-[2-(4-methoxyphenoxy)ethoxy]-6,8-dimethylchromen-4-one | 2 - 2-(3,4-dimethoxyphenyl)-3-[2-(4-methoxyphenoxy)ethoxy]-6,8-dimethylchromen-4-one