| MolName | 5-hydroxy-7-[2-(3-nitrophenyl)-2-oxoethoxy]-2-phenylchromen-4-one |
| MolecularFormula | C23H15NO7 |
| Smiles | [O-][N+](c1cc(C(COc(cc2O)cc(OC(c3ccccc3)=C3)c2C3=O)=O)ccc1)=O |
| InChI | InChI=1S/C23H15NO7/c25-18-10-17(30-13-20(27)15-7-4-8-16(9-15)24(28)29)11-22-23(18)19(26)12-21(31-22)14-5-2-1-3-6-14/h1-12,25H,13H2 |
| InChIK | LVWJOCFSQBHVFE-UHFFFAOYSA-N |
| TotalMolweight | 417.372 |
| Molweight | 417.372 |
| MonoisotopicMass | 417.084854 |
| CLogP | 2.9954 |
| CLogS | -5.542 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 303.27 |
| Relative PSA | 0.29545 |
| PolarSurfaceArea | 118.65 |
| Druglikeness | -4.0594 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 5-hydroxy-7-[2-(3-nitrophenyl)-2-oxoethoxy]-2-phenylchromen-4-one | 2 - 5-hydroxy-7-[2-(3-nitrophenyl)-2-oxoethoxy]-2-phenylchromen-4-one