You are looking to 2-Bromoheptanoic Acid
General Information
Pubchem ID: 17503
IUPAC Name: 2-bromoheptanoic acid
Synonym/s: A-BROMOHEPTANOIC ACID, ---
Molecular Formula: C7H13BrO2
SMILES:
Known Interaction/s
Structural Values
Molecular Weight (Da): 209.0800
Number of Atoms: 23
Rotatable Bonds: 5
Molecular Refractivity (m³ • mol-1 ): 43.200
Physico-chemical Properties
Volume (cm³ • mol-1 ): 631.08
Solvent Accessible Surface Area (Ų): 401.99
Hydrogen Bond Donor: 0
Hydrogen Bond Acceptor: 0
Total Charge: 0
pKa: 2.98
AlogP: 2.82
Polar Surface Area (Å): 50.07
Pharmacological Analysis
Rule of Five or Lipinsky Rule: Satisfied
Rule of Three: Unsatisfied
Ghose Filter: Satisfied
Functional Group/s
Carbonyl
Carboxylic acid
Alkyl bromide
Alkyl halide
C(sp3)-leaving group