(2S)-1,1,4,4-tetrabromobut-3-en-2-ol
PubChem CID: 162931129
Connections displayed (default: 10).
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| Topological Polar Surface Area | 20.2 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 107.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-1,1,4,4-tetrabromobut-3-en-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C4H4Br4O |
| Prediction Swissadme | 1.0 |
| Inchi Key | ZDAIYBKGMCKLDE-REOHCLBHSA-N |
| Fcsp3 | 0.5 |
| Logs | -2.499 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.262 |
| Compound Name | (2S)-1,1,4,4-tetrabromobut-3-en-2-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 387.695 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 383.7 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 387.69 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.0961842 |
| Inchi | InChI=1S/C4H4Br4O/c5-3(6)1-2(9)4(7)8/h1-2,4,9H/t2-/m0/s1 |
| Smiles | C(=C(Br)Br)[C@@H](C(Br)Br)O |
| 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 Pulicaria Dysenterica (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Uncaria Quadrangularis (Plant) Rel Props:Source_db:cmaup_ingredients