| MolName | 2-[4-[[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-6-yl]oxy]phenyl]-5,7-dihydroxychromen-4-one |
| MolecularFormula | C30H20O10 |
| Smiles | Oc1ccc(C(CC2=O)Oc(cc3O)c2c(O)c3Oc(cc2)ccc2C(Oc2c3c(O)cc(O)c2)=CC3=O)cc1 |
| InChI | InChI=1S/C30H20O10/c31-16-5-1-14(2-6-16)24-12-21(35)28-26(40-24)13-22(36)30(29(28)37)38-18-7-3-15(4-8-18)23-11-20(34)27-19(33)9-17(32)10-25(27)39-23/h1-11,13,24,31-33,36-37H,12H2/t24-/m1/s1 |
| InChIK | DQAQPJCEVLMLPH-XMMPIXPASA-N |
| TotalMolweight | 540.479 |
| Molweight | 540.479 |
| MonoisotopicMass | 540.10565 |
| CLogP | 4.5731 |
| CLogS | -6.473 |
| H Acceptors | 10 |
| H Donors | 5 |
| TotalSurfaceArea | 373.76 |
| Relative PSA | 0.32529 |
| PolarSurfaceArea | 162.98 |
| Druglikeness | 0.8125 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| StereoCon | racemate |
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1 - 2-[4-[[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-6-yl]oxy]phenyl]-5,7-dihydroxychromen-4-one | 2 - 2-[4-[[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-6-yl]oxy]phenyl]-5,7-dihydroxychromen-4-one