5-Furo[3,2-f][1]benzofuran-2-ylbenzene-1,3-diol
PubChem CID: 46177529
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| Compound Synonyms | CHEMBL3397404, BDBM50083073 |
|---|---|
| Topological Polar Surface Area | 66.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 350.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a., P00591 |
| Iupac Name | 5-furo[3,2-f][1]benzofuran-2-ylbenzene-1,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C16H10O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WWGOYNYKPSPHDA-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.9 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.934 |
| Compound Name | 5-Furo[3,2-f][1]benzofuran-2-ylbenzene-1,3-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 266.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 266.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 266.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.4091624 |
| Inchi | InChI=1S/C16H10O4/c17-12-4-11(5-13(18)7-12)15-6-10-3-9-1-2-19-14(9)8-16(10)20-15/h1-8,17-18H |
| Smiles | C1=COC2=CC3=C(C=C21)C=C(O3)C4=CC(=CC(=C4)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all