You are looking to Heptanoic Acid
General Information
Pubchem ID: 8094
IUPAC Name: heptanoic acid
Synonym/s: Oenanthic acid, heptylate
Molecular Formula: C7H14O2
SMILES:
Known Interaction/s
Structural Values
Molecular Weight (Da): 130.1800
Number of Atoms: 23
Rotatable Bonds: 5
Molecular Refractivity (m³ • mol-1 ): 35.670
Physico-chemical Properties
Volume (cm³ • mol-1 ): 582.01
Solvent Accessible Surface Area (Ų): 376.94
Hydrogen Bond Donor: 0
Hydrogen Bond Acceptor: 0
Total Charge: 0
pKa: 4.92
AlogP: 2.26
Polar Surface Area (Å): 50.38
Pharmacological Analysis
Rule of Five or Lipinsky Rule: Satisfied
Rule of Three: Unsatisfied
Ghose Filter: Unsatisfied
Functional Group/s
Carbonyl
Carboxylic Acid