Basic Information
| Drug ID | DDPD03255 |
|
| Drug Name | Phenol | |
| Molecular Weight | 94.1112 | |
| Molecular Formula | C6H6O | |
| CAS Number | 108-95-2 | |
| SMILES | OC1=CC=CC=C1 | |
| External Links | ||
| DRUGBANK | DB03255 | |
| T3DB | T3D0182 | |
| ATSDR | ATSDR Page | |
| PubChem Compound | 996 | |
| Drugs.com | Drugs.com Drug Page | |
Experimental Physicochemical Property
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Reference |
|---|---|---|---|---|---|
| Log P | 1.46 | - | 1.46 | - | HANSCH,C ET AL. (1995) |
| Boiling Point | 181.8 | ℃ | 181.8 | ℃ | PhysProp |
| Melting Point | 40.9 | ℃ | 40.9 | ℃ | PhysProp |
| Water Solubility | 82800.0 | mg/L | 82800 | mg/L | SOUTHWORTH,GR & KELLER,JL 1986) |
| pKa | 9.99 | - | 9.99 | - | SERJEANT,EP & DEMPSEY,B (1979) |
| Log S | 0.0 | - | 0.0 | - | ADME Research, USCD |
Pharmacokinetic/ Toxicokinetic Property
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Annotation | Reference |
|---|---|---|---|---|---|---|
| Toxicity LD50 | 325.0 | mg/kg | 0.3-0.35 | g/kg | subcutaneous injection, SC; mouse; | DRUGBANK | Toxicity LD50 | 450.0 | mg/kg | 0.45 | g/kg | subcutaneous injection, SC; Rattus, Rat; | DRUGBANK | Toxicity LD50 | 530.0 | mg/kg | 0.53 | g/kg | PO, oral; Rattus, Rat; | DRUGBANK | Toxicity LD50 | 650.0 | mg/kg | 0.65 | g/kg | PO, oral; Rattus, Rat; | DRUGBANK | Toxicity LD50 | 670.0 | mg/kg | 0.67 | g/kg | skin/dermal; Rattus, Rat; | DRUGBANK | Toxicity LD50 | 16.7 | mg/kg/h | 400.0 | mg/kg/day | PO, oral; Rattus, Rat; | T3DB | Toxicity LD50 | 27.9 | mg/m2/h | 669.0 | mg/m2/day | skin/dermal; Rattus, Rat; | T3DB | Toxicity LD50 | 58.3 | mg/m2/h | 1400.0 | mg/m2/day | skin/dermal; rabbit; | T3DB |
| Toxicity MRLs | 1.0 | mg/kg/day | 1.0 | mg/kg/day | PO, oral; | ATSDR | Toxicity MRLs | 1.0 | mg/kg/day | 1.0 | mg/kg/day | PO, oral; Rattus, Rat; | T3DB |
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