2,9-Dihydroxy-3-methoxy-[1]benzofuro[3,2-c]chromen-6-one
PubChem CID: 5319352
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| Topological Polar Surface Area | 89.1 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 454.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,9-dihydroxy-3-methoxy-[1]benzofuro[3,2-c]chromen-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C16H10O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DZTCHOVSMSHCHK-UHFFFAOYSA-N |
| Fcsp3 | 0.0625 |
| Logs | -4.394 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.802 |
| Compound Name | 2,9-Dihydroxy-3-methoxy-[1]benzofuro[3,2-c]chromen-6-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 298.048 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 298.048 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 298.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.2172681818181825 |
| Inchi | InChI=1S/C16H10O6/c1-20-13-6-12-9(5-10(13)18)15-14(16(19)22-12)8-3-2-7(17)4-11(8)21-15/h2-6,17-18H,1H3 |
| Smiles | COC1=C(C=C2C(=C1)OC(=O)C3=C2OC4=C3C=CC(=C4)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Melilotus Messanensis (Plant) Rel Props:Source_db:cmaup_ingredients