Basic Information
| Drug ID | DDPD00756 |
|
| Drug Name | Hexachlorophene | |
| Molecular Weight | 406.904 | |
| Molecular Formula | C13H6Cl6O2 | |
| CAS Number | 70-30-4 | |
| SMILES | OC1=C(CC2=C(O)C(Cl)=CC(Cl)=C2Cl)C(Cl)=C(Cl)C=C1Cl | |
| External Links | ||
| DRUGBANK | DB00756 | |
| PubChem Compound | 3598 | |
| Drugs.com | Drugs.com Drug Page | |
Experimental Physicochemical Property
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Reference |
|---|---|---|---|---|---|
| Log P | 7.54 | - | 7.54 | - | HANSCH,C ET AL. (1995) |
| Boiling Point | 479.0 | ℃ | 479 | ℃ | PhysProp |
| Melting Point | 162.0 | ℃ | 161-163 | ℃ | U.S. Patent 2,435,593. |
| Water Solubility | 140.0 | mg/L | 140 | mg/L | YALKOWSKY,SH & DANNENFELSER,RM 1992) |
| pKa | 4.95 | - | 4.95 | - | HANSCH,C & LEO,AJ (1985) |
Pharmacokinetic/ Toxicokinetic Property
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Annotation | Reference |
|---|---|---|---|---|---|---|
| Toxicity LC50 | 66.0 | mg/kg | 66.0 | mg/kg | PO, oral; Rattus, Rat; | DRUGBANK |
| Protein Binding | 92.0 | % | 92 | % | DRUGBANK |
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