9-[2-(4-Bromophenyl)-2-oxoethoxy]furo[3,2-g]chromen-7-one
PubChem CID: 163074613
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| Topological Polar Surface Area | 65.7 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 554.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9-[2-(4-bromophenyl)-2-oxoethoxy]furo[3,2-g]chromen-7-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.0 |
| Molecular Formula | C19H11BrO5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AGKUKXGMSGRUQL-UHFFFAOYSA-N |
| Fcsp3 | 0.0526315789473684 |
| Logs | -3.862 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.84 |
| Compound Name | 9-[2-(4-Bromophenyl)-2-oxoethoxy]furo[3,2-g]chromen-7-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 397.979 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 397.979 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 399.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.314415200000001 |
| Inchi | InChI=1S/C19H11BrO5/c20-14-4-1-11(2-5-14)15(21)10-24-19-17-13(7-8-23-17)9-12-3-6-16(22)25-18(12)19/h1-9H,10H2 |
| Smiles | C1=CC(=CC=C1C(=O)COC2=C3C(=CC4=C2OC=C4)C=CC(=O)O3)Br |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zanthoxylum Spinosum (Plant) Rel Props:Source_db:cmaup_ingredients