(2Z,8S,9Z)-heptadeca-2,9-dien-4,6-diyne-1,8-diol
PubChem CID: 10400397
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| Compound Synonyms | CHEMBL463984 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 392.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2Z,8S,9Z)-heptadeca-2,9-dien-4,6-diyne-1,8-diol |
| Prediction Hob | 0.0 |
| Xlogp | 4.2 |
| Molecular Formula | C17H24O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | UECWLXACMXYTFN-HVIKZBMUSA-N |
| Fcsp3 | 0.5294117647058824 |
| Logs | -3.917 |
| Rotatable Bond Count | 9.0 |
| Logd | 3.282 |
| Compound Name | (2Z,8S,9Z)-heptadeca-2,9-dien-4,6-diyne-1,8-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 260.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 260.178 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 260.399 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.5534373999999995 |
| Inchi | InChI=1S/C17H24O2/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18/h10-11,13-14,17-19H,2-6,8,16H2,1H3/b13-10-,14-11-/t17-/m0/s1 |
| Smiles | CCCCCCC/C=C\[C@@H](C#CC#C/C=C\CO)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bupleurum Salicifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all