3-hydroxy-8,9-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one
Formula:C17H12O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
3-hydroxy-8,9-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one is a drug-like molecule.
| MolName | 3-hydroxy-8,9-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one |
| MolecularFormula | C17H12O6 |
| Smiles | COc(c(OC)c1)cc2c1oc(-c(ccc(O)c1)c1O1)c2C1=O |
| InChI | InChI=1S/C17H12O6/c1-20-13-6-10-12(7-14(13)21-2)22-16-9-4-3-8(18)5-11(9)23-17(19)15(10)16/h3-7,18H,1-2H3 |
| InChIK | PKLPURDVDNBFCI-UHFFFAOYSA-N |
| TotalMolweight | 312.276 |
| Molweight | 312.276 |
| MonoisotopicMass | 312.06339 |
| CLogP | 3.0464 |
| CLogS | -4.677 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 222.43 |
| Relative PSA | 0.31583 |
| PolarSurfaceArea | 78.13 |
| Druglikeness | -0.24304 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 6 |
| StereoCon |
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1 - 3-hydroxy-8,9-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one | 2 - 3-hydroxy-8,9-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one
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