(5S)-5-hydroxydecanoic acid
PubChem CID: 6604110
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| Compound Synonyms | SCHEMBL9847083, CHEMBL1622997 |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 134.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (5S)-5-hydroxydecanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C10H20O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | LMHJFKYQYDSOQO-VIFPVBQESA-N |
| Fcsp3 | 0.9 |
| Logs | -1.706 |
| Rotatable Bond Count | 8.0 |
| Logd | 0.911 |
| Compound Name | (5S)-5-hydroxydecanoic acid |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 188.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 188.141 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 188.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.8337553999999998 |
| Inchi | InChI=1S/C10H20O3/c1-2-3-4-6-9(11)7-5-8-10(12)13/h9,11H,2-8H2,1H3,(H,12,13)/t9-/m0/s1 |
| Smiles | CCCCC[C@@H](CCCC(=O)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Sophora Pachycarpa (Plant) Rel Props:Source_db:cmaup_ingredients