(E)-9,12-dihydroxynonadec-15-enoic acid
PubChem CID: 5316811
Connections displayed (default: 10).
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| Topological Polar Surface Area | 77.8 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 302.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-9,12-dihydroxynonadec-15-enoic acid |
| Prediction Hob | 0.0 |
| Xlogp | 4.6 |
| Molecular Formula | C19H36O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RQJUILPBCUMSNT-GQCTYLIASA-N |
| Fcsp3 | 0.8421052631578947 |
| Logs | -4.394 |
| Rotatable Bond Count | 16.0 |
| Logd | 2.264 |
| Compound Name | (E)-9,12-dihydroxynonadec-15-enoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 328.261 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 328.261 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 328.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.6997565999999997 |
| Inchi | InChI=1S/C19H36O4/c1-2-3-4-6-9-12-17(20)15-16-18(21)13-10-7-5-8-11-14-19(22)23/h4,6,17-18,20-21H,2-3,5,7-16H2,1H3,(H,22,23)/b6-4+ |
| Smiles | CCC/C=C/CCC(CCC(CCCCCCCC(=O)O)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dracaena Draco (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Hippophae Rhamnoides (Plant) Rel Props:Source_db:cmaup_ingredients