2-((3′-TERTBUTYL-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 5.12 ALOGPS
logS -4.6 ALOGPS
Water Solubility 8.27e-03 g/l ALOGPS
logP 5.28 ChemAxon
IUPAC Name 2-[(E)-2-(3-tert-butyl-4-hydroxyphenyl)diazen-1-yl]benzoic acid ChemAxon
Traditional IUPAC Name 2-[(E)-2-(3-tert-butyl-4-hydroxyphenyl)diazen-1-yl]benzoic acid ChemAxon
Molecular Weight 298.3364 ChemAxon
Monoisotopic Weight 298.131742452 ChemAxon
SMILES CC(C)(C)C1=CC(=CC=C1O)N=NC1=CC=CC=C1C(O)=O ChemAxon
Molecular Formula C17H18N2O3 ChemAxon
InChI InChI=1S/C17H18N2O3/c1-17(2,3)13-10-11(8-9-15(13)20)18-19-14-7-5-4-6-12(14)16(21)22/h4-10,20H,1-3H3,(H,21,22)/b19-18+ ChemAxon
InChIKey InChIKey=RLAQYNIYEMUFPA-VHEBQXMUSA-N ChemAxon
Polar Surface Area (PSA) 82.25 ChemAxon
Refractivity 88.28 ChemAxon
Polarizability 32.07 ChemAxon
Rotatable Bond Count 4 ChemAxon
H Bond Acceptor Count 5 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 3.36 ChemAxon
pKa (strongest basic) 0.29 ChemAxon
Physiological Charge -1 ChemAxon
Number of Rings 2 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 0 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Streptavidin : in Streptomyces avidinii