2,7,8-Trihydroxy-3-(4-hydroxyphenyl)dibenzofuran-1,4-dione
PubChem CID: 136811319
Connections displayed (default: 10).
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| Topological Polar Surface Area | 128.0 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 619.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,7,8-trihydroxy-3-(4-hydroxyphenyl)dibenzofuran-1,4-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C18H10O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KMNUKTSDKCNYAD-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -4.223 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.64 |
| Compound Name | 2,7,8-Trihydroxy-3-(4-hydroxyphenyl)dibenzofuran-1,4-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 338.043 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 338.043 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 338.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9595801999999996 |
| Inchi | InChI=1S/C18H10O7/c19-8-3-1-7(2-4-8)13-15(22)16(23)14-9-5-10(20)11(21)6-12(9)25-18(14)17(13)24/h1-6,19-22H |
| Smiles | C1=CC(=CC=C1C2=C(C(=O)C3=C(C2=O)OC4=CC(=C(C=C43)O)O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vigna Angularis (Plant) Rel Props:Source_db:cmaup_ingredients