Basic Information
| Drug ID | DDPD02701 |
|
| Drug Name | Nicotinamide | |
| Molecular Weight | 122.1246 | |
| Molecular Formula | C6H6N2O | |
| CAS Number | 98-92-0 | |
| SMILES | NC(=O)C1=CN=CC=C1 | |
| External Links | ||
| DRUGBANK | DB02701 | |
| T3DB | T3D4168 | |
| PubChem Compound | 936 | |
| Drugs.com | Drugs.com Drug Page | |
Experimental Physicochemical Property
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Reference |
|---|---|---|---|---|---|
| Log P | -0.37 | - | -0.37 | - | HANSCH,C ET AL. (1995) |
| Boiling Point | 157.0 | ℃ | 157 | ℃ | PhysProp |
| Melting Point | 130.0 | ℃ | 130 | ℃ | PhysProp |
| Water Solubility | 500000.0 | mg/L | 500000 | mg/L | MERCK INDEX 1996) |
| pKa | 3.35 | - | 3.35 | - | PERRIN,DD (1965) |
| Log S | 0.61 | - | 0.61 | - | ADME Research, USCD |
Pharmacokinetic/ Toxicokinetic Property
Not Available
Maximum Dosage
Not Available
Drug Property Radar Chart
Note: Center: Q1-1.5*IQR, Edge: Q3+1.5*IQR; Q1: Quantile 1, Q3: Quantile 3, IQR: Q3-Q1