5-(7-hydroxy-4-oxochromen-3-yl)-1-benzofuran-2-carboxylic acid
Formula:C18H10O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-(7-hydroxy-4-oxochromen-3-yl)-1-benzofuran-2-carboxylic acid is a drug-like molecule.
| MolName | 5-(7-hydroxy-4-oxochromen-3-yl)-1-benzofuran-2-carboxylic acid |
| MolecularFormula | C18H10O6 |
| Smiles | OC(c1cc(cc(cc2)C3=COc(cc(cc4)O)c4C3=O)c2o1)=O |
| InChI | InChI=1S/C18H10O6/c19-11-2-3-12-15(7-11)23-8-13(17(12)20)9-1-4-14-10(5-9)6-16(24-14)18(21)22/h1-8,19H,(H,21,22) |
| InChIK | AKFDXKMNDPQQHQ-UHFFFAOYSA-N |
| TotalMolweight | 322.271 |
| Molweight | 322.271 |
| MonoisotopicMass | 322.04774 |
| CLogP | 2.3093 |
| CLogS | -4.515 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 226.72 |
| Relative PSA | 0.33694 |
| PolarSurfaceArea | 96.97 |
| Druglikeness | -0.1541 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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