Phenylheptatriyne
Representations & DB's id
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| ChEBI: | CHEBI:671 | |
|---|---|---|
| ChEMBL: | CHEMBL444776 | |
| PubChem: | 77981 | |
| IUPAC: | hepta-1,3,5-triynylbenzene | |
| Standard InChI: | InChI=1S/C13H8/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h6,8-9,11-12H,1H3 | |
| Standard InChI Key: | ACKWHAMNCLDPRO-UHFFFAOYSA-N | |
| SMILES: | CC#CC#CC#Cc1ccccc1 | |
Molecular propeties
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| AlogP: | 2.06 | |
|---|---|---|
| Hydrogen bonds acceptors: | 0 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 1 | |
| Molecular Weight: | 164.06 | |
| Topological polar surface area: | 0 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.077 | |
| Number of carbons: | 13 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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