(9-Acetyloxy-1-methyl-6-oxo-[1]benzofuro[3,2-c]chromen-8-yl) acetate
PubChem CID: 85557854
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 92.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 632.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (9-acetyloxy-1-methyl-6-oxo-[1]benzofuro[3,2-c]chromen-8-yl) acetate |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C20H14O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YUIZSECWBFMDCQ-UHFFFAOYSA-N |
| Fcsp3 | 0.15 |
| Logs | -6.786 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.642 |
| Compound Name | (9-Acetyloxy-1-methyl-6-oxo-[1]benzofuro[3,2-c]chromen-8-yl) acetate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 366.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 366.074 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 366.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.7134409259259265 |
| Inchi | InChI=1S/C20H14O7/c1-9-5-4-6-13-17(9)19-18(20(23)27-13)12-7-15(24-10(2)21)16(25-11(3)22)8-14(12)26-19/h4-8H,1-3H3 |
| Smiles | CC1=C2C(=CC=C1)OC(=O)C3=C2OC4=CC(=C(C=C43)OC(=O)C)OC(=O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ambrosia Hispida (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Lonicera Tatarica (Plant) Rel Props:Source_db:cmaup_ingredients