9-(2-Bromoethoxy)furo[3,2-g]chromen-7-one
PubChem CID: 141333771
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| Topological Polar Surface Area | 48.7 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 357.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9-(2-bromoethoxy)furo[3,2-g]chromen-7-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C13H9BrO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FCPWDHMLHXCYEB-UHFFFAOYSA-N |
| Fcsp3 | 0.1538461538461538 |
| Logs | -4.557 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.924 |
| Compound Name | 9-(2-Bromoethoxy)furo[3,2-g]chromen-7-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 307.968 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 307.968 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 309.11 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9434574444444443 |
| Inchi | InChI=1S/C13H9BrO4/c14-4-6-17-13-11-9(3-5-16-11)7-8-1-2-10(15)18-12(8)13/h1-3,5,7H,4,6H2 |
| Smiles | C1=CC(=O)OC2=C(C3=C(C=CO3)C=C21)OCCBr |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zanthoxylum Spinosum (Plant) Rel Props:Source_db:cmaup_ingredients