19-(2-Furyl)Nonadeca-5-Ynoic Acid
PubChem CID: 11566680
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 19-(2-furyl)nonadeca-5-ynoic acid, CHEMBL499558, 19-(2-Furyl)nonadeca-5-ynoate, 19-(Furan-2-yl)nonadec-5-ynoate, 19-(furan-2-yl)nonadec-5-ynoic acid |
|---|---|
| Topological Polar Surface Area | 50.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 404.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 19-(furan-2-yl)nonadec-5-ynoic acid |
| Prediction Hob | 0.0 |
| Xlogp | 7.9 |
| Molecular Formula | C23H36O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ONOHKAVRSPRSMW-UHFFFAOYSA-N |
| Fcsp3 | 0.6956521739130435 |
| Logs | -5.764 |
| Rotatable Bond Count | 16.0 |
| Logd | 3.613 |
| Compound Name | 19-(2-Furyl)Nonadeca-5-Ynoic Acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 360.266 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 360.266 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 360.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.132343292307692 |
| Inchi | InChI=1S/C23H36O3/c24-23(25)20-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-22-19-17-21-26-22/h17,19,21H,1-9,11,13-16,18,20H2,(H,24,25) |
| Smiles | C1=COC(=C1)CCCCCCCCCCCCCC#CCCCC(=O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Polyalthia Evecta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all