CID 16682735
PubChem CID: 16682735
Connections displayed (default: 10).
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| Topological Polar Surface Area | 35.5 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 171.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Nih Violation | True |
| Prediction Hob | 0.0 |
| Is Pains | False |
| Molecular Formula | C7H4BiO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LMWGJGSFWDSVJG-UHFFFAOYSA-L |
| Fcsp3 | 0.0 |
| Rotatable Bond Count | 0.0 |
| Compound Name | CID 16682735 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 344.996 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 344.996 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 345.08 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C7H6O3.Bi/c8-6-4-2-1-3-5(6)7(9)10, /h1-4,8H,(H,9,10), /q, +2/p-2 |
| Smiles | C1=CC=C2C(=C1)C(=O)O[Bi]O2 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crataegus Pinnatifida (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Gardenia Jasminoides (Plant) Rel Props:Source_db:cmaup_ingredients