3,9-dimethoxy-6H-[1]benzofuro[3,2-c]chromene-1,7-diol
PubChem CID: 5316760
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| Topological Polar Surface Area | 81.3 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 431.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,9-dimethoxy-6H-[1]benzofuro[3,2-c]chromene-1,7-diol |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C17H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RVGZSUMTFIEORY-UHFFFAOYSA-N |
| Fcsp3 | 0.1764705882352941 |
| Logs | -4.688 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.353 |
| Compound Name | 3,9-dimethoxy-6H-[1]benzofuro[3,2-c]chromene-1,7-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 314.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 314.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 314.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.878025295652174 |
| Inchi | InChI=1S/C17H14O6/c1-20-8-4-12(19)16-13(5-8)22-7-10-15-11(18)3-9(21-2)6-14(15)23-17(10)16/h3-6,18-19H,7H2,1-2H3 |
| Smiles | COC1=CC(=C2C(=C1)OCC3=C2OC4=CC(=CC(=C34)O)OC)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hedysarum Multijugum (Plant) Rel Props:Source_db:cmaup_ingredients