2-((3′-METHYL-4′-HYDROXYPHENYL)AZO)BENZOIC ACID

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as azobenzenes. These are organonitrogen aromatic compounds that contain a central azo group, where each nitrogen atom is conjugated to a bezene ring.

Azobenzenes

Organic compounds

Organoheterocyclic compounds

Azobenzenes

Calculated Property

kind Value Source
logP 3.79 ALOGPS
logS -3.6 ALOGPS
Water Solubility 5.92e-02 g/l ALOGPS
logP 4.25 ChemAxon
IUPAC Name 2-[(E)-2-(4-hydroxy-3-methylphenyl)diazen-1-yl]benzoic acid ChemAxon
Traditional IUPAC Name 2-[(E)-2-(4-hydroxy-3-methylphenyl)diazen-1-yl]benzoic acid ChemAxon
Molecular Weight 256.2567 ChemAxon
Monoisotopic Weight 256.08479226 ChemAxon
SMILES CC1=CC(=CC=C1O)N=NC1=CC=CC=C1C(O)=O ChemAxon
Molecular Formula C14H12N2O3 ChemAxon
InChI InChI=1S/C14H12N2O3/c1-9-8-10(6-7-13(9)17)15-16-12-5-3-2-4-11(12)14(18)19/h2-8,17H,1H3,(H,18,19)/b16-15+ ChemAxon
InChIKey InChIKey=SBSCJWJICRGLIV-FOCLMDBBSA-N ChemAxon
Polar Surface Area (PSA) 82.25 ChemAxon
Refractivity 74.66 ChemAxon
Polarizability 26.43 ChemAxon
Rotatable Bond Count 3 ChemAxon
H Bond Acceptor Count 5 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 3.36 ChemAxon
pKa (strongest basic) 0.34 ChemAxon
Physiological Charge -1 ChemAxon
Number of Rings 2 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Streptavidin : in Streptomyces avidinii