7,8-dihydroxy-4-(2-oxochromen-3-yl)chromen-2-one
Formula:C18H10O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
7,8-dihydroxy-4-(2-oxochromen-3-yl)chromen-2-one is a drug-like molecule.
| MolName | 7,8-dihydroxy-4-(2-oxochromen-3-yl)chromen-2-one |
| MolecularFormula | C18H10O6 |
| Smiles | Oc(ccc(C(C1=Cc(cccc2)c2OC1=O)=C1)c2OC1=O)c2O |
| InChI | InChI=1S/C18H10O6/c19-13-6-5-10-11(8-15(20)24-17(10)16(13)21)12-7-9-3-1-2-4-14(9)23-18(12)22/h1-8,19,21H |
| InChIK | JJONDMMLECJXPZ-UHFFFAOYSA-N |
| TotalMolweight | 322.271 |
| Molweight | 322.271 |
| MonoisotopicMass | 322.04774 |
| CLogP | 1.8446 |
| CLogS | -3.017 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 223.64 |
| Relative PSA | 0.3232 |
| PolarSurfaceArea | 93.06 |
| Druglikeness | -1.787 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 1 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| StereoCon |
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