6-Hydroxydec-4-ynoic acid
PubChem CID: 162981215
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| Compound Synonyms | Gallicynoic Acid I, 6-hydroxydec-4-ynoic acid, CHEBI:222593 |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 209.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (6S)-6-hydroxydec-4-ynoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 1.4 |
| Molecular Formula | C10H16O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DPGVHXHAHQPSNB-VIFPVBQESA-N |
| Fcsp3 | 0.7 |
| Logs | -1.122 |
| Rotatable Bond Count | 5.0 |
| Logd | 0.636 |
| Compound Name | 6-Hydroxydec-4-ynoic acid |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 184.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 184.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 184.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.5279569999999998 |
| Inchi | InChI=1S/C10H16O3/c1-2-3-6-9(11)7-4-5-8-10(12)13/h9,11H,2-3,5-6,8H2,1H3,(H,12,13)/t9-/m0/s1 |
| Smiles | CCCC[C@@H](C#CCCC(=O)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chaenomeles Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients