(111C)undecane
PubChem CID: 450698
Connections displayed (default: 10).
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| Compound Synonyms | MOLI001228 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 1.0 |
| Molecular Complexity | 49.1 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (111C)undecane |
| Prediction Hob | 1.0 |
| Xlogp | 5.6 |
| Molecular Formula | C11H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RSJKGSCJYJTIGS-BJUDXGSMSA-N |
| Fcsp3 | 1.0 |
| Logs | -5.889 |
| Rotatable Bond Count | 8.0 |
| Logd | 4.082 |
| Compound Name | (111C)undecane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 155.199 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 155.199 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 155.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7777432883199995 |
| Inchi | InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3/i1-1 |
| Smiles | CCCCCCCCCC[11CH3] |
| Nring | 8.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Gmelina Arborea (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Hypericum Japonicum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Perilla Frutescens (Plant) Rel Props:Source_db:cmaup_ingredients