Hexan-1-olate
PubChem CID: 22606972
Connections displayed (default: 10).
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| Topological Polar Surface Area | 23.1 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 7.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 27.4 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | hexan-1-olate |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Is Pains | False |
| Molecular Formula | C6H13O- |
| Prediction Swissadme | 0.0 |
| Inchi Key | ASLWBSBSPWHNLU-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 4.0 |
| Compound Name | Hexan-1-olate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 101.097 |
| Formal Charge | -1.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 101.097 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 101.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.4821478 |
| Inchi | InChI=1S/C6H13O/c1-2-3-4-5-6-7/h2-6H2,1H3/q-1 |
| Smiles | CCCCCC[O-] |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Clematis Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Platycladus Orientalis (Plant) Rel Props:Source_db:cmaup_ingredients