(2R)-2-bromo-2-iodoacetic acid
PubChem CID: 95858522
Connections displayed (default: 10).
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| Topological Polar Surface Area | 37.3 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 6.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 64.599 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-2-bromo-2-iodoacetic acid |
| Prediction Hob | 1.0 |
| Xlogp | 1.4 |
| Molecular Formula | C2H2BrIO2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | PMJXOVYMFHLFDD-PVQJCKRUSA-N |
| Fcsp3 | 0.5 |
| Logs | -0.959 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.366 |
| Compound Name | (2R)-2-bromo-2-iodoacetic acid |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 263.828 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 263.828 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 264.84 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.2728328 |
| Inchi | InChI=1S/C2H2BrIO2/c3-1(4)2(5)6/h1H,(H,5,6)/t1-/m1/s1 |
| Smiles | [C@@H](C(=O)O)(Br)I |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ainsliaea Dissecta (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Platycarphella Carlinoides (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Pulicaria Dysenterica (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Uncaria Quadrangularis (Plant) Rel Props:Source_db:cmaup_ingredients