5,6,7-trihydroxy-3-(3,4,5-trihydroxyphenyl)chromen-4-one
Formula:C15H10O8
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5,6,7-trihydroxy-3-(3,4,5-trihydroxyphenyl)chromen-4-one is not a drug-like molecule.
| MolName | 5,6,7-trihydroxy-3-(3,4,5-trihydroxyphenyl)chromen-4-one |
| MolecularFormula | C15H10O8 |
| Smiles | Oc1cc(C(C(c2c3O)=O)=COc2cc(O)c3O)cc(O)c1O |
| InChI | InChI=1S/C15H10O8/c16-7-1-5(2-8(17)13(7)20)6-4-23-10-3-9(18)14(21)15(22)11(10)12(6)19/h1-4,16-18,20-22H |
| InChIK | DFURNQJNFBMYHM-UHFFFAOYSA-N |
| TotalMolweight | 318.236 |
| Molweight | 318.236 |
| MonoisotopicMass | 318.03757 |
| CLogP | 0.5901 |
| CLogS | -1.839 |
| H Acceptors | 8 |
| H Donors | 6 |
| TotalSurfaceArea | 210.08 |
| Relative PSA | 0.48382 |
| PolarSurfaceArea | 147.68 |
| Druglikeness | -0.093853 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 3 |
| StereoCon |
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1 - 5,6,7-trihydroxy-3-(3,4,5-trihydroxyphenyl)chromen-4-one | 2 - 5,6,7-trihydroxy-3-(3,4,5-trihydroxyphenyl)chromen-4-one
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