Basic Information

Drug ID DDPD03793 ...
Drug Name Benzoic acid
Molecular Weight 122.123
Molecular Formula C7H6O2
CAS Number 65-85-0
SMILES OC(=O)C1=CC=CC=C1
External Links
DRUGBANK DB03793
T3DB T3D4785
PubChem Compound 243

Experimental Physicochemical Property

Property Name Property Value Unit Raw Value Raw Unit Reference
Log P 1.87 - 1.87 - HANSCH,C ET AL. (1995)
Boiling Point 249.2 249.2 PhysProp
Melting Point 122.4 122.4 PhysProp
Water Solubility 3400.0 mg/L 3400 mg/L YALKOWSKY,SH & DANNENFELSER,RM 1992)
pKa 4.19 - 4.19 - LIDE,DR (1996)
Log S -1.55 - -1.55 - ADME Research, USCD

Pharmacokinetic/ Toxicokinetic Property

Not Available

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