2,3-DIMETHYL-1,4-NAPHTHOQUINONE

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as naphthoquinones. These are compounds containing a naphthohydroquinone moiety, which consists of a benzene ring linearly fused to a bezene-1,4-dione (quinone).

Naphthoquinones

Organic compounds

Benzenoids

Naphthalenes

Naphthoquinones

Calculated Property

kind Value Source
logP 2.3 ALOGPS
logS -2.8 ALOGPS
Water Solubility 3.12e-01 g/l ALOGPS
logP 2.29 ChemAxon
IUPAC Name 2,3-dimethyl-1,4-dihydronaphthalene-1,4-dione ChemAxon
Traditional IUPAC Name 2,3-dimethylnaphthalene-1,4-dione ChemAxon
Molecular Weight 186.2066 ChemAxon
Monoisotopic Weight 186.068079564 ChemAxon
SMILES CC1=C(C)C(=O)C2=C(C=CC=C2)C1=O ChemAxon
Molecular Formula C12H10O2 ChemAxon
InChI InChI=1S/C12H10O2/c1-7-8(2)12(14)10-6-4-3-5-9(10)11(7)13/h3-6H,1-2H3 ChemAxon
InChIKey InChIKey=LGFDNUSAWCHVJN-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 34.14 ChemAxon
Refractivity 54.9 ChemAxon
Polarizability 19.68 ChemAxon
Rotatable Bond Count 0 ChemAxon
H Bond Acceptor Count 2 ChemAxon
H Bond Donor Count 0 ChemAxon
pKa (strongest basic) -7.2 ChemAxon
Physiological Charge 0 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

  • Fumarate reductase flavoprotein subunit : in Wolinella succinogenes (strain ATCC 29543 / DSM 1740 / LMG 7466 / NCTC 11488 / FDC 602W)
  • Fumarate reductase iron-sulfur subunit : in Wolinella succinogenes (strain ATCC 29543 / DSM 1740 / LMG 7466 / NCTC 11488 / FDC 602W)
  • Fumarate reductase cytochrome b subunit : in Wolinella succinogenes (strain ATCC 29543 / DSM 1740 / LMG 7466 / NCTC 11488 / FDC 602W)