Basic Information

Drug ID DDPD00936 ...
Drug Name Salicylic acid
Molecular Weight 138.122
Molecular Formula C7H6O3
CAS Number 69-72-7
SMILES OC(=O)C1=CC=CC=C1O
External Links
DRUGBANK DB00936
T3DB T3D4816
PubChem Compound 338
PDR 1618

Experimental Physicochemical Property

Property Name Property Value Unit Raw Value Raw Unit Reference
Caco-2 Permeability -4.79 - -4.79 - ADME Research, USCD
Log P 2.26 - 2.26 - HANSCH,C ET AL. (1995)
Boiling Point 211.0 211 PhysProp
Melting Point 158.0 158 PhysProp
Water Solubility 2240.0 mg/L 2240 mg/L YALKOWSKY,SH & DANNENFELSER,RM 1992)
pKa 2.97 - 2.97 - SERJEANT,EP & DEMPSEY,B (1979)
Log S -1.82 - -1.82 - ADME Research, USCD

Pharmacokinetic/ Toxicokinetic Property

Property Name Property Value Unit Raw Value Raw Unit Annotation Reference
Toxicity LD50 891.0 mg/kg 891.0 mg/kg PO, oral; Rattus, Rat; DRUGBANK
Toxicity LD50 891.0 mg/kg 891.0 mg/kg PO, oral; Rattus, Rat; T3DB
Toxicity LC50 0.90 mg/L/h >900 mg/m3/1h inhalation, IH; Rattus, Rat; DRUGBANK
Toxicity LC50 0.90 mg/L/h 900.0 mg/m3/1h inhalation, IH; Rattus, Rat; 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