[5-(5-Thiophen-2-ylthiophen-2-yl)thiophen-2-yl]methyl acetate
PubChem CID: 5321832
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| Compound Synonyms | SCHEMBL498734 |
|---|---|
| Topological Polar Surface Area | 111.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 350.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]methyl acetate |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C15H12O2S3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CGONEINYOMPEIT-UHFFFAOYSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -6.629 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.107 |
| Compound Name | [5-(5-Thiophen-2-ylthiophen-2-yl)thiophen-2-yl]methyl acetate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 320.0 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 320.0 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 320.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.622252 |
| Inchi | InChI=1S/C15H12O2S3/c1-10(16)17-9-11-4-5-14(19-11)15-7-6-13(20-15)12-3-2-8-18-12/h2-8H,9H2,1H3 |
| Smiles | CC(=O)OCC1=CC=C(S1)C2=CC=C(S2)C3=CC=CS3 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Eclipta Prostrata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Ephedra Intermedia (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Garcinia Lucida (Plant) Rel Props:Source_db:cmaup_ingredients