2-[(Z)-4-thiophen-2-ylbut-1-en-3-ynyl]furan
PubChem CID: 5317432
Connections displayed (default: 10).
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| Topological Polar Surface Area | 41.4 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 271.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[(Z)-4-thiophen-2-ylbut-1-en-3-ynyl]furan |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C12H8OS |
| Prediction Swissadme | 0.0 |
| Inchi Key | HAKDYPJVGUKNJQ-KTAJNNJTSA-N |
| Fcsp3 | 0.0 |
| Logs | -4.586 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.964 |
| Compound Name | 2-[(Z)-4-thiophen-2-ylbut-1-en-3-ynyl]furan |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 200.03 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 200.03 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 200.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.6861958285714285 |
| Inchi | InChI=1S/C12H8OS/c1(5-11-6-3-9-13-11)2-7-12-8-4-10-14-12/h1,3-6,8-10H/b5-1- |
| Smiles | C1=COC(=C1)/C=C\C#CC2=CC=CS2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Achillea Millefolium (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Brassica Nigra (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Codium Fragile (Plant) Rel Props:Source_db:cmaup_ingredients