(9Z)-9-Heptadecene-4,6-diyne-1-ol
PubChem CID: 44360001
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | (9Z)-9-Heptadecene-4,6-diyne-1-ol, CHEMBL337824 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 326.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q9ES14 |
| Iupac Name | (Z)-heptadec-9-en-4,6-diyn-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 5.5 |
| Molecular Formula | C17H26O |
| Prediction Swissadme | 0.0 |
| Inchi Key | TXNKJZICGHLGKD-HJWRWDBZSA-N |
| Fcsp3 | 0.6470588235294118 |
| Logs | -4.138 |
| Rotatable Bond Count | 10.0 |
| Logd | 3.635 |
| Compound Name | (9Z)-9-Heptadecene-4,6-diyne-1-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 246.198 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 246.198 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 246.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.213442799999999 |
| Inchi | InChI=1S/C17H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h8-9,18H,2-7,10,15-17H2,1H3/b9-8- |
| Smiles | CCCCCCC/C=C\CC#CC#CCCCO |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cicuta Virosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all