(2Z,9Z)-heptadeca-2,9-dien-4,6-diyn-1-ol
PubChem CID: 46881233
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| Compound Synonyms | CHEMBL1086904 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 361.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2Z,9Z)-heptadeca-2,9-dien-4,6-diyn-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 5.3 |
| Molecular Formula | C17H24O |
| Prediction Swissadme | 0.0 |
| Inchi Key | KJUXJIQGIJBGRT-APAMCJOLSA-N |
| Fcsp3 | 0.5294117647058824 |
| Logs | -4.083 |
| Rotatable Bond Count | 9.0 |
| Logd | 3.604 |
| Compound Name | (2Z,9Z)-heptadeca-2,9-dien-4,6-diyn-1-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 244.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 244.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 244.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -4.1598435999999985 |
| Inchi | InChI=1S/C17H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h8-9,15-16,18H,2-7,10,17H2,1H3/b9-8-,16-15- |
| Smiles | CCCCCCC/C=C\CC#CC#C/C=C\CO |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bupleurum Longiradiatum (Plant) Rel Props:Source_db:npass_chem_all