1,4-Bis(2,4-dihydroxyphenyl)butane-1,4-dione
PubChem CID: 14825501
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | SCHEMBL6427459 |
|---|---|
| Topological Polar Surface Area | 115.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 371.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,4-bis(2,4-dihydroxyphenyl)butane-1,4-dione |
| Prediction Hob | 0.0 |
| Xlogp | 2.5 |
| Molecular Formula | C16H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MAACIAXDWACWDX-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -4.363 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.549 |
| Compound Name | 1,4-Bis(2,4-dihydroxyphenyl)butane-1,4-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 302.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 302.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 302.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.387984763636364 |
| Inchi | InChI=1S/C16H14O6/c17-9-1-3-11(15(21)7-9)13(19)5-6-14(20)12-4-2-10(18)8-16(12)22/h1-4,7-8,17-18,21-22H,5-6H2 |
| Smiles | C1=CC(=C(C=C1O)O)C(=O)CCC(=O)C2=C(C=C(C=C2)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Gnetum Ula (Plant) Rel Props:Source_db:cmaup_ingredients