(Z,8R)-8-hydroxydec-2-en-4,6-diynoic acid
PubChem CID: 162938507
Connections displayed (default: 10).
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| Topological Polar Surface Area | 57.5 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 326.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (Z,8R)-8-hydroxydec-2-en-4,6-diynoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 1.1 |
| Molecular Formula | C10H10O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | CRRZPEMJSQSTDV-JGAIRUGNSA-N |
| Fcsp3 | 0.3 |
| Logs | -1.548 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.421 |
| Compound Name | (Z,8R)-8-hydroxydec-2-en-4,6-diynoic acid |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 178.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 178.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 178.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.4931593999999997 |
| Inchi | InChI=1S/C10H10O3/c1-2-9(11)7-5-3-4-6-8-10(12)13/h6,8-9,11H,2H2,1H3,(H,12,13)/b8-6-/t9-/m1/s1 |
| Smiles | CC[C@H](C#CC#C/C=C\C(=O)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Caesalpinia Minax (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Camptotheca Acuminata (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Hypericum Erectum (Plant) Rel Props:Source_db:cmaup_ingredients