Dealkylated Diethylpropion
Representations & DB's id
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| ChEBI: | CHEBI:59332 | |
|---|---|---|
| ChEMBL: | CHEMBL1124 | |
| PubChem: | 107786 | |
| IUPAC: | 2-amino-1-phenylpropan-1-one | |
| Standard InChI: | InChI=1S/C9H11NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7H,10H2,1H3 | |
| Standard InChI Key: | PUAQLLVFLMYYJJ-UHFFFAOYSA-N | |
| SMILES: | CC(C(=O)c1ccccc1)N | |
Molecular propeties
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| AlogP: | 1.22 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 1 | |
| Molecular Weight: | 149.08 | |
| Topological polar surface area: | 43.1 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.222 | |
| Number of carbons: | 9 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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