1,3,3-Tribromo-1-iodoprop-1-ene
PubChem CID: 162870956
Connections displayed (default: 10).
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| Topological Polar Surface Area | 0.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 7.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 78.2 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,3,3-tribromo-1-iodoprop-1-ene |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C3H2Br3I |
| Prediction Swissadme | 0.0 |
| Inchi Key | VRGQVTFBMFQTIH-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -3.701 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.248 |
| Compound Name | 1,3,3-Tribromo-1-iodoprop-1-ene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 403.673 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 401.675 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 404.66 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.500523 |
| Inchi | InChI=1S/C3H2Br3I/c4-2(5)1-3(6)7/h1-2H |
| Smiles | C(=C(Br)I)C(Br)Br |
| 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