Methyl 19-(furan-2-yl)nonadec-5-ynoate
PubChem CID: 11566977
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| Compound Synonyms | CHEMBL521615 |
|---|---|
| Topological Polar Surface Area | 39.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 418.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 19-(furan-2-yl)nonadec-5-ynoate |
| Prediction Hob | 0.0 |
| Xlogp | 8.2 |
| Molecular Formula | C24H38O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AQNHEYASQIWORC-UHFFFAOYSA-N |
| Fcsp3 | 0.7083333333333334 |
| Logs | -6.78 |
| Rotatable Bond Count | 17.0 |
| Logd | 4.47 |
| Compound Name | Methyl 19-(furan-2-yl)nonadec-5-ynoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 374.282 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 374.282 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 374.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.355940037037038 |
| Inchi | InChI=1S/C24H38O3/c1-26-24(25)21-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-19-23-20-18-22-27-23/h18,20,22H,2-10,12,14-17,19,21H2,1H3 |
| Smiles | COC(=O)CCCC#CCCCCCCCCCCCCCC1=CC=CO1 |
| 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