2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC 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 3.74 ALOGPS
logS -3.5 ALOGPS
Water Solubility 8.69e-02 g/l ALOGPS
logP 3.31 ChemAxon
IUPAC Name 2-[(E)-2-[4-(dimethylamino)phenyl]diazen-1-yl]benzoic acid ChemAxon
Traditional IUPAC Name methyl red ChemAxon
Molecular Weight 269.2985 ChemAxon
Monoisotopic Weight 269.116426739 ChemAxon
SMILES CN(C)C1=CC=C(C=C1)N=NC1=CC=CC=C1C(O)=O ChemAxon
Molecular Formula C15H15N3O2 ChemAxon
InChI InChI=1S/C15H15N3O2/c1-18(2)12-9-7-11(8-10-12)16-17-14-6-4-3-5-13(14)15(19)20/h3-10H,1-2H3,(H,19,20)/b17-16+ ChemAxon
InChIKey InChIKey=CEQFOVLGLXCDCX-WUKNDPDISA-N ChemAxon
Polar Surface Area (PSA) 65.26 ChemAxon
Refractivity 82.06 ChemAxon
Polarizability 29.14 ChemAxon
Rotatable Bond Count 4 ChemAxon
H Bond Acceptor Count 5 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest acidic) 3.15 ChemAxon
pKa (strongest basic) 3.79 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

  • FMN-dependent NADH-azoreductase 1 : in Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)