ethyl 4-[7-(2-ethoxy-2-oxoethoxy)-4-oxochromen-3-yl]oxybenzoate
Formula:C22H20O8
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
ethyl 4-[7-(2-ethoxy-2-oxoethoxy)-4-oxochromen-3-yl]oxybenzoate is a drug-like molecule.
| MolName | ethyl 4-[7-(2-ethoxy-2-oxoethoxy)-4-oxochromen-3-yl]oxybenzoate |
| MolecularFormula | C22H20O8 |
| Smiles | CCOC(COc(cc1)cc(OC=C2Oc(cc3)ccc3C(OCC)=O)c1C2=O)=O |
| InChI | InChI=1S/C22H20O8/c1-3-26-20(23)13-28-16-9-10-17-18(11-16)29-12-19(21(17)24)30-15-7-5-14(6-8-15)22(25)27-4-2/h5-12H,3-4,13H2,1-2H3 |
| InChIK | KVYBZGGMFRVSAI-UHFFFAOYSA-N |
| TotalMolweight | 412.393 |
| Molweight | 412.393 |
| MonoisotopicMass | 412.11582 |
| CLogP | 3.0682 |
| CLogS | -4.708 |
| H Acceptors | 8 |
| TotalSurfaceArea | 313.28 |
| Relative PSA | 0.28447 |
| PolarSurfaceArea | 97.36 |
| Druglikeness | -4.1009 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 10 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - ethyl 4-[7-(2-ethoxy-2-oxoethoxy)-4-oxochromen-3-yl]oxybenzoate | 2 - ethyl 4-[7-(2-ethoxy-2-oxoethoxy)-4-oxochromen-3-yl]oxybenzoate
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