1,1-Dibromo-3,3-dichloroprop-1-ene
PubChem CID: 13538081
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 | 75.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,1-dibromo-3,3-dichloroprop-1-ene |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C3H2Br2Cl2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YSDOFDQKYXYIPZ-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -3.39 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.284 |
| Compound Name | 1,1-Dibromo-3,3-dichloroprop-1-ene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 267.788 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 265.79 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 268.76 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6012306000000005 |
| Inchi | InChI=1S/C3H2Br2Cl2/c4-2(5)1-3(6)7/h1,3H |
| Smiles | C(=C(Br)Br)C(Cl)Cl |
| 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