denatonium [2814]
denatonium
| SMILES | CC[N+](CC)(CC(=O)Nc1c(C)cccc1C)Cc1ccccc1 |
| InChIKey | ZFQMTVNLDNXRNQ-UHFFFAOYSA-O |
Chemical Properties
| Hydrogen bond acceptors | 1 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 7 |
| Log P | 4.299 |
| Molecular weight (Da) | 325.2 |
| Stereochemistry info | unspecified |
Database connections
| Structure pdb | 9W0T |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
denatonium
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Distribution across phases (no. indications)
Phase I
0
Phase II
0
Phase III
0
Phase IV
0
Database connections
| Structure pdb | 9W0T |