2-(7,8-dihydroxy-2-oxochromen-4-yl)benzo[f]chromen-3-one
Formula:C22H12O6
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
2-(7,8-dihydroxy-2-oxochromen-4-yl)benzo[f]chromen-3-one is a drug-like molecule.
| MolName | 2-(7,8-dihydroxy-2-oxochromen-4-yl)benzo[f]chromen-3-one |
| MolecularFormula | C22H12O6 |
| Smiles | Oc(ccc(C(C1=Cc(c2ccccc2cc2)c2OC1=O)=C1)c2OC1=O)c2O |
| InChI | InChI=1S/C22H12O6/c23-17-7-6-13-14(10-19(24)28-21(13)20(17)25)16-9-15-12-4-2-1-3-11(12)5-8-18(15)27-22(16)26/h1-10,23,25H |
| InChIK | TZUYEQOVHVONQS-UHFFFAOYSA-N |
| TotalMolweight | 372.331 |
| Molweight | 372.331 |
| MonoisotopicMass | 372.06339 |
| CLogP | 3.039 |
| CLogS | -4.623 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 258.24 |
| Relative PSA | 0.27989 |
| PolarSurfaceArea | 93.06 |
| Druglikeness | -1.787 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 1 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 4 |
| StereoCon |
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