4,7-bis(4-hydroxyphenyl)spiro[1,3-benzodioxole-2,5'-2H-furan]-5,6-dione
PubChem CID: 14426702
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 102.0 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 762.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,7-bis(4-hydroxyphenyl)spiro[1,3-benzodioxole-2,5'-2H-furan]-5,6-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C22H14O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FRBRPTPYTMPAAS-UHFFFAOYSA-N |
| Fcsp3 | 0.0909090909090909 |
| Logs | -4.258 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.138 |
| Compound Name | 4,7-bis(4-hydroxyphenyl)spiro[1,3-benzodioxole-2,5'-2H-furan]-5,6-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 390.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 390.074 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 390.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.826658296551725 |
| Inchi | InChI=1S/C22H14O7/c23-14-6-2-12(3-7-14)16-18(25)19(26)17(13-4-8-15(24)9-5-13)21-20(16)28-22(29-21)10-1-11-27-22/h1-10,23-24H,11H2 |
| Smiles | C1C=CC2(O1)OC3=C(C(=O)C(=O)C(=C3O2)C4=CC=C(C=C4)O)C5=CC=C(C=C5)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vigna Angularis (Plant) Rel Props:Source_db:cmaup_ingredients