11-MERCAPTOUNDECANOIC ACID

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.

Medium-chain fatty acids

Organic compounds

Lipids and lipid-like molecules

Fatty Acyls

Fatty acids and conjugates

Calculated Property

kind Value Source
logP 4.48 ALOGPS
logS -4.3 ALOGPS
Water Solubility 1.11e-02 g/l ALOGPS
logP 3.85 ChemAxon
IUPAC Name 11-sulfanylundecanoic acid ChemAxon
Traditional IUPAC Name 11-mercaptoundecanoic acid ChemAxon
Molecular Weight 218.356 ChemAxon
Monoisotopic Weight 218.134050638 ChemAxon
SMILES OC(=O)CCCCCCCCCCS ChemAxon
Molecular Formula C11H22O2S ChemAxon
InChI InChI=1S/C11H22O2S/c12-11(13)9-7-5-3-1-2-4-6-8-10-14/h14H,1-10H2,(H,12,13) ChemAxon
InChIKey InChIKey=GWOLZNVIRIHJHB-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 37.3 ChemAxon
Refractivity 62.04 ChemAxon
Polarizability 26.92 ChemAxon
Rotatable Bond Count 10 ChemAxon
H Bond Acceptor Count 2 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 4.95 ChemAxon
pKa (strongest basic) -9.6 ChemAxon
Physiological Charge -1 ChemAxon
Number of Rings 0 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • 3-oxoacyl-[acyl-carrier-protein] synthase 3 : in Mycobacterium tuberculosis