5-Hydroxy-2-(4-hydroxyphenoxy)-6,7-dimethoxychromen-4-one
PubChem CID: 5319541
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| Topological Polar Surface Area | 94.5 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 483.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-2-(4-hydroxyphenoxy)-6,7-dimethoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C17H14O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SDFLBBYWGIOMBJ-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -3.119 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.563 |
| Compound Name | 5-Hydroxy-2-(4-hydroxyphenoxy)-6,7-dimethoxychromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 330.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 330.074 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 330.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3456437333333335 |
| Inchi | InChI=1S/C17H14O7/c1-21-13-8-12-15(16(20)17(13)22-2)11(19)7-14(24-12)23-10-5-3-9(18)4-6-10/h3-8,18,20H,1-2H3 |
| Smiles | COC1=C(C(=C2C(=C1)OC(=CC2=O)OC3=CC=C(C=C3)O)O)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Capillaris (Plant) Rel Props:Source_db:cmaup_ingredients