Basic Information

Drug ID DDPD08809 ...
Drug Name Dichloroacetic acid
Molecular Weight 128.942
Molecular Formula C2H2Cl2O2
CAS Number 79-43-6
SMILES OC(=O)C(Cl)Cl
External Links
DRUGBANK DB08809
T3DB T3D4690
PubChem Compound 6597

Experimental Physicochemical Property

Property Name Property Value Unit Raw Value Raw Unit Reference
Log P 0.92 - 0.92 - HANSCH,C ET AL. (1995)
Boiling Point 194.0 194 PhysProp
Melting Point 13.5 13.5 PhysProp
Water Solubility 1000000.0 mg/L 1000000 mg/L YALKOWSKY,SH & DANNENFELSER,RM 1992)
pKa 1.26 - 1.26 - MARUTHAMUTHU,P & HUIE,RE (1995)

Pharmacokinetic/ Toxicokinetic Property

Property Name Property Value Unit Raw Value Raw Unit Annotation Reference
Clearance 0.32 L/h/kg 5.3 ml/min/kg intravenous injection, IV; human, homo sapiens; Human Intravenous Pharmacokinetic Dataset
Volume of Distribution 0.19 L/kg 0.19 L/kg intravenous injection, IV; human, homo sapiens; Human Intravenous Pharmacokinetic Dataset
Half-life 0.65 h 0.65 h intravenous injection, IV; human, homo sapiens; Human Intravenous Pharmacokinetic Dataset
Toxicity LD50 2820.0 mg/kg 2820.0 mg/kg PO, oral; Rattus, Rat; DRUGBANK
Toxicity LD50 510.0 mg/kg 510.0 mg/kg skin/dermal; rabbit; DRUGBANK
Toxicity LD50 2820.0 mg/kg 2820.0 mg/kg PO, oral; Rattus, Rat; T3DB
Toxicity LD50 510.0 mg/kg 510.0 mg/kg skin/dermal; rabbit; T3DB

Maximum Dosage

Not Available

Drug Property Radar Chart

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Note: Center: Q1-1.5*IQR, Edge: Q3+1.5*IQR; Q1: Quantile 1, Q3: Quantile 3, IQR: Q3-Q1