4,4-Dideuterionon-8-enoic acid
PubChem CID: 10820841
Connections displayed (default: 10).
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| Topological Polar Surface Area | 37.3 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 2.0 |
| Molecular Complexity | 119.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,4-dideuterionon-8-enoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C9H16O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | AWQOXJOAQMCOED-NCYHJHSESA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -2.452 |
| Rotatable Bond Count | 7.0 |
| Logd | 1.916 |
| Compound Name | 4,4-Dideuterionon-8-enoic acid |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 158.128 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 158.128 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 158.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.1104706620471996 |
| Inchi | InChI=1S/C9H16O2/c1-2-3-4-5-6-7-8-9(10)11/h2H,1,3-8H2,(H,10,11)/i6D2 |
| Smiles | [2H]C([2H])(CCCC=C)CCC(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bupleurum Chinense (Plant) Rel Props:Source_db:cmaup_ingredients