(9Z,11Z)-13-hydroxyhexadeca-9,11-dienoic acid
PubChem CID: 5318221
Connections displayed (default: 10).
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| Topological Polar Surface Area | 57.5 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 269.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (9Z,11Z)-13-hydroxyhexadeca-9,11-dienoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 4.3 |
| Molecular Formula | C16H28O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MMCGXPYQSCQHMN-RXTIBHSBSA-N |
| Fcsp3 | 0.6875 |
| Logs | -3.305 |
| Rotatable Bond Count | 12.0 |
| Logd | 2.243 |
| Compound Name | (9Z,11Z)-13-hydroxyhexadeca-9,11-dienoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 268.204 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 268.204 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 268.39 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.540761399999999 |
| Inchi | InChI=1S/C16H28O3/c1-2-12-15(17)13-10-8-6-4-3-5-7-9-11-14-16(18)19/h6,8,10,13,15,17H,2-5,7,9,11-12,14H2,1H3,(H,18,19)/b8-6-,13-10- |
| Smiles | CCCC(/C=C\C=C/CCCCCCCC(=O)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Glabra (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Hippophae Rhamnoides (Plant) Rel Props:Source_db:cmaup_ingredients