(7-Oxofuro[3,2-g]chromen-9-yl) 4-bromobenzoate
PubChem CID: 163044054
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| Topological Polar Surface Area | 65.7 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 540.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (7-oxofuro[3,2-g]chromen-9-yl) 4-bromobenzoate |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C18H9BrO5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZCERAEJOYWFXTO-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -4.583 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.372 |
| Compound Name | (7-Oxofuro[3,2-g]chromen-9-yl) 4-bromobenzoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 383.963 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 383.963 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 385.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.329481133333334 |
| Inchi | InChI=1S/C18H9BrO5/c19-13-4-1-10(2-5-13)18(21)24-17-15-12(7-8-22-15)9-11-3-6-14(20)23-16(11)17/h1-9H |
| Smiles | C1=CC(=CC=C1C(=O)OC2=C3C(=CC4=C2OC=C4)C=CC(=O)O3)Br |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zanthoxylum Spinosum (Plant) Rel Props:Source_db:cmaup_ingredients