3,3-Dibromo-2-iodoprop-2-enoic acid
PubChem CID: 21277637
Connections displayed (default: 10).
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| Topological Polar Surface Area | 37.3 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 138.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,3-dibromo-2-iodoprop-2-enoic acid |
| Prediction Hob | 0.0 |
| Xlogp | 2.3 |
| Molecular Formula | C3HBr2IO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HBOKCGOLNUAKOF-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -2.287 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.423 |
| Compound Name | 3,3-Dibromo-2-iodoprop-2-enoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 355.737 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 353.739 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 355.75 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4160562 |
| Inchi | InChI=1S/C3HBr2IO2/c4-2(5)1(6)3(7)8/h(H,7,8) |
| Smiles | C(=C(Br)Br)(C(=O)O)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