CID 11115931
PubChem CID: 11115931
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 | 53.1 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C7H13 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RCZWOYWKKNGSKJ-UHFFFAOYSA-N |
| Fcsp3 | 0.5714285714285714 |
| Logs | -3.087 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.35 |
| Compound Name | CID 11115931 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 97.1017 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 97.1017 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 97.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.4306222 |
| Inchi | InChI=1S/C7H13/c1-4-6-7(3)5-2/h6H,3-5H2,1-2H3 |
| Smiles | CC[CH]C(=C)CC |
| 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 Hansenia Weberbaueriana (Plant) Rel Props:Source_db:cmaup_ingredients