2-(3,4-Dihydroxyphenyl)furo[2,3-h]chromen-4-one
PubChem CID: 44537938
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| Compound Synonyms | CHEMBL573853 |
|---|---|
| Topological Polar Surface Area | 79.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 487.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3,4-dihydroxyphenyl)furo[2,3-h]chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C17H10O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HQXNJTYEMIKUKO-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -4.12 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.707 |
| Compound Name | 2-(3,4-Dihydroxyphenyl)furo[2,3-h]chromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 294.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 294.053 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 294.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5479153090909095 |
| Inchi | InChI=1S/C17H10O5/c18-12-3-1-9(7-14(12)20)16-8-13(19)10-2-4-15-11(5-6-21-15)17(10)22-16/h1-8,18,20H |
| Smiles | C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C4=C(C=C3)OC=C4)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Derris Indica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all