Basic Information
| Drug ID | DDPD03166 |
|
| Drug Name | Acetic acid | |
| Molecular Weight | 60.052 | |
| Molecular Formula | C2H4O2 | |
| CAS Number | 64-19-7 | |
| SMILES | CC(O)=O | |
| External Links | ||
| DRUGBANK | DB03166 | |
| T3DB | T3D3268 | |
| PubChem Compound | 176 | |
| Drugs.com | Drugs.com Drug Page | |
Experimental Physicochemical Property
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Reference |
|---|---|---|---|---|---|
| Log P | -0.17 | - | -0.17 | - | HANSCH,C ET AL. (1995) |
| Boiling Point | 117.9 | ℃ | 117.9 | ℃ | PhysProp |
| Melting Point | 16.6 | ℃ | 16.6 | ℃ | PhysProp |
| Water Solubility | 1000000.0 | mg/L | 1000000 | mg/L | MERCK INDEX 1996) |
| pKa | 4.76 | - | 4.76 | - | SERJEANT,EP & DEMPSEY,B (1979) |
| Log S | 1.22 | - | 1.22 | - | ADME Research, USCD |
Pharmacokinetic/ Toxicokinetic Property
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Annotation | Reference |
|---|---|---|---|---|---|---|
| Toxicity LD50 | 3530.0 | mg/kg | 3.53 | g/kg | PO, oral; Rattus, Rat; | T3DB | Toxicity LD50 | 525.0 | mg/kg | 525.0 | mg/kg | intravenous injection, IV; mouse; | T3DB | Toxicity LD50 | 1060.0 | mg/kg | 1060.0 | mg/kg | skin/dermal; rabbit; | T3DB |
| Toxicity LC50 | 5360.0 | mg/kg | 5260.0 | ppm | inhalation, IH; mouse; | 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