(7Z)-8-methylsulfanyltrideca-1,7-dien-3,5,9,11-tetrayne
PubChem CID: 101415640
Connections displayed (default: 10).
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| Topological Polar Surface Area | 25.3 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 520.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (7Z)-8-methylsulfanyltrideca-1,7-dien-3,5,9,11-tetrayne |
| Prediction Hob | 1.0 |
| Xlogp | 4.0 |
| Molecular Formula | C14H10S |
| Prediction Swissadme | 0.0 |
| Inchi Key | UXKZYARBTQKFQT-YPKPFQOOSA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | -5.642 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.034 |
| Compound Name | (7Z)-8-methylsulfanyltrideca-1,7-dien-3,5,9,11-tetrayne |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 210.05 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 210.05 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 210.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.5726661999999996 |
| Inchi | InChI=1S/C14H10S/c1-4-6-8-9-11-13-14(15-3)12-10-7-5-2/h4,13H,1H2,2-3H3/b14-13- |
| Smiles | CC#CC#C/C(=C/C#CC#CC=C)/SC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dracocephalum Rupestre (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Trachycarpus Fortunei (Plant) Rel Props:Source_db:cmaup_ingredients