(5-Hydroxy-8-methoxy-2,7-dimethyl-4-oxobenzo[h]chromen-10-yl) hydrogen sulfate
PubChem CID: 14825731
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| Topological Polar Surface Area | 128.0 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 666.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (5-hydroxy-8-methoxy-2,7-dimethyl-4-oxobenzo[h]chromen-10-yl) hydrogen sulfate |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C16H14O8S |
| Prediction Swissadme | 0.0 |
| Inchi Key | LZZSHNAMCXXGGT-UHFFFAOYSA-N |
| Fcsp3 | 0.1875 |
| Logs | -2.142 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.13 |
| Compound Name | (5-Hydroxy-8-methoxy-2,7-dimethyl-4-oxobenzo[h]chromen-10-yl) hydrogen sulfate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 366.041 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 366.041 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 366.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5563018 |
| Inchi | InChI=1S/C16H14O8S/c1-7-4-10(17)15-11(18)5-9-8(2)12(22-3)6-13(24-25(19,20)21)14(9)16(15)23-7/h4-6,18H,1-3H3,(H,19,20,21) |
| Smiles | CC1=CC(=O)C2=C(C=C3C(=C(C=C(C3=C2O1)OS(=O)(=O)O)OC)C)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Wikstroemia Monticola (Plant) Rel Props:Source_db:cmaup_ingredients