7-hydroxy-9-(2-oxochromen-3-yl)benzo[c]chromen-6-one
Formula:C22H12O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
7-hydroxy-9-(2-oxochromen-3-yl)benzo[c]chromen-6-one is a drug-like molecule.
| MolName | 7-hydroxy-9-(2-oxochromen-3-yl)benzo[c]chromen-6-one |
| MolecularFormula | C22H12O5 |
| Smiles | Oc(cc(cc1-c(cccc2)c2O2)C3=Cc(cccc4)c4OC3=O)c1C2=O |
| InChI | InChI=1S/C22H12O5/c23-17-11-13(15-9-12-5-1-3-7-18(12)26-21(15)24)10-16-14-6-2-4-8-19(14)27-22(25)20(16)17/h1-11,23H |
| InChIK | IKDPXRKCPNRPQY-UHFFFAOYSA-N |
| TotalMolweight | 356.332 |
| Molweight | 356.332 |
| MonoisotopicMass | 356.068475 |
| CLogP | 3.7368 |
| CLogS | -5.501 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 252.34 |
| Relative PSA | 0.23452 |
| PolarSurfaceArea | 72.83 |
| Druglikeness | 0.019888 |
| Mutagenic | none |
| Tumorigenic | none |
| 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 | 18 |
| Sp3Atoms | 3 |
| StereoCon |
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