2,6-dicarboxynaphthalene

Status : experimental

Description

2,6-dicarboxynaphthalene is a solid. This compound belongs to the naphthalenecarboxylic acids. These are compounds containing a napthalene moiety with a ring carbon which bears a carboxylic acid group. This drug targets the proteins hemoglobin subunit alpha and hemoglobin subunit beta.

Chemical Classification

This compound belongs to the class of organic compounds known as naphthalenecarboxylic acids. These are compounds containing a naphthalene moiety, which bears a carboxylic acid group one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.

Naphthalenecarboxylic acids

Organic compounds

Benzenoids

Naphthalenes

Naphthalenecarboxylic acids and derivatives

Calculated Property

kind Value Source
logP 2.17 ALOGPS
logS -3.4 ALOGPS
Water Solubility 9.60e-02 g/l ALOGPS
logP 2.28 ChemAxon
IUPAC Name naphthalene-2,6-dicarboxylic acid ChemAxon
Traditional IUPAC Name 2,6-naphthalic acid ChemAxon
Molecular Weight 216.1895 ChemAxon
Monoisotopic Weight 216.042258744 ChemAxon
SMILES OC(=O)C1=CC2=CC=C(C=C2C=C1)C(O)=O ChemAxon
Molecular Formula C12H8O4 ChemAxon
InChI InChI=1S/C12H8O4/c13-11(14)9-3-1-7-5-10(12(15)16)4-2-8(7)6-9/h1-6H,(H,13,14)(H,15,16) ChemAxon
InChIKey InChIKey=RXOHFPCZGPKIRD-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 74.6 ChemAxon
Refractivity 57.02 ChemAxon
Polarizability 21.24 ChemAxon
Rotatable Bond Count 2 ChemAxon
H Bond Acceptor Count 4 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 3.69 ChemAxon
Physiological Charge -2 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

  • Hemoglobin subunit alpha : in Human
  • Hemoglobin subunit beta : in Human