CID 172117
PubChem CID: 172117
Connections displayed (default: 10).
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| Topological Polar Surface Area | 0.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 37.3 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Xlogp | 4.3 |
| Molecular Formula | C8H17 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BROQFSBWAFMYNP-UHFFFAOYSA-N |
| Fcsp3 | 0.875 |
| Logs | -3.972 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.6 |
| Compound Name | CID 172117 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 113.133 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 113.133 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 113.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.961788799999999 |
| Inchi | InChI=1S/C8H17/c1-4-5-6-7-8(2)3/h8H,1,4-7H2,2-3H3 |
| Smiles | CC(C)CCCC[CH2] |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crataegus Pinnatifida (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Siphonostegia Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients