2-ethenyl-5-[5-[(E)-prop-1-enyl]thiophen-2-yl]thiophene
PubChem CID: 14704544
Connections displayed (default: 10).
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| Topological Polar Surface Area | 56.5 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 247.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-ethenyl-5-[5-[(E)-prop-1-enyl]thiophen-2-yl]thiophene |
| Prediction Hob | 1.0 |
| Xlogp | 4.8 |
| Molecular Formula | C13H12S2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WZNYJLRTUVEHOF-HWKANZROSA-N |
| Fcsp3 | 0.0769230769230769 |
| Logs | -4.138 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.257 |
| Compound Name | 2-ethenyl-5-[5-[(E)-prop-1-enyl]thiophen-2-yl]thiophene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 232.038 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 232.038 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 232.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.625245933333333 |
| Inchi | InChI=1S/C13H12S2/c1-3-5-11-7-9-13(15-11)12-8-6-10(4-2)14-12/h3-9H,2H2,1H3/b5-3+ |
| Smiles | C/C=C/C1=CC=C(S1)C2=CC=C(S2)C=C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Allium Ampeloprasum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Piper Tuberculatum (Plant) Rel Props:Source_db:cmaup_ingredients