2-(7-hydroxy-2-oxochromen-4-yl)benzo[f]chromen-3-one
Formula:C22H12O5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
2-(7-hydroxy-2-oxochromen-4-yl)benzo[f]chromen-3-one is a drug-like molecule.
| MolName | 2-(7-hydroxy-2-oxochromen-4-yl)benzo[f]chromen-3-one |
| MolecularFormula | C22H12O5 |
| Smiles | Oc(cc1)cc(O2)c1C(C1=Cc(c3ccccc3cc3)c3OC1=O)=CC2=O |
| InChI | InChI=1S/C22H12O5/c23-13-6-7-15-16(11-21(24)26-20(15)9-13)18-10-17-14-4-2-1-3-12(14)5-8-19(17)27-22(18)25/h1-11,23H |
| InChIK | VOKOLUUQBZNEHL-UHFFFAOYSA-N |
| TotalMolweight | 356.332 |
| Molweight | 356.332 |
| MonoisotopicMass | 356.068475 |
| CLogP | 3.3847 |
| CLogS | -4.919 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 251.89 |
| Relative PSA | 0.23494 |
| PolarSurfaceArea | 72.83 |
| Druglikeness | -1.787 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| StereoCon |
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