1-DECANE-SULFONIC-ACID

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as sulfonic acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom).

Sulfonic acids

Organic compounds

Organic acids and derivatives

Sulfonic acids and derivatives

Sulfonic acids

Calculated Property

kind Value Source
logP 1.6 ALOGPS
logS -3.5 ALOGPS
Water Solubility 7.27e-02 g/l ALOGPS
logP 3.18 ChemAxon
IUPAC Name decane-1-sulfonic acid ChemAxon
Traditional IUPAC Name 1-decane-sulfonic-acid ChemAxon
Molecular Weight 222.345 ChemAxon
Monoisotopic Weight 222.12896526 ChemAxon
SMILES CCCCCCCCCCS(O)(=O)=O ChemAxon
Molecular Formula C10H22O3S ChemAxon
InChI InChI=1S/C10H22O3S/c1-2-3-4-5-6-7-8-9-10-14(11,12)13/h2-10H2,1H3,(H,11,12,13) ChemAxon
InChIKey InChIKey=KVGOXGQSTGQXDD-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 54.37 ChemAxon
Refractivity 58.13 ChemAxon
Polarizability 26 ChemAxon
Rotatable Bond Count 9 ChemAxon
H Bond Acceptor Count 3 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest acidic) -0.59 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

  • SDS hydrolase SdsA1 : in Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)