1,8-Di-Hydroxy-4-Nitro-Anthraquinone

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone.

Anthraquinones

Organic compounds

Benzenoids

Anthracenes

Anthraquinones

Calculated Property

kind Value Source
logP 2.02 ALOGPS
logS -3.2 ALOGPS
Water Solubility 1.90e-01 g/l ALOGPS
logP 3.55 ChemAxon
IUPAC Name 4,5-dihydroxy-1-nitro-9,10-dihydroanthracene-9,10-dione ChemAxon
Traditional IUPAC Name 4,5-dihydroxy-1-nitroanthracene-9,10-dione ChemAxon
Molecular Weight 285.2085 ChemAxon
Monoisotopic Weight 285.027336961 ChemAxon
SMILES OC1=CC=CC2=C1C(=O)C1=C(O)C=CC(=C1C2=O)[N+]([O-])=O ChemAxon
Molecular Formula C14H7NO6 ChemAxon
InChI InChI=1S/C14H7NO6/c16-8-3-1-2-6-10(8)14(19)12-9(17)5-4-7(15(20)21)11(12)13(6)18/h1-5,16-17H ChemAxon
InChIKey InChIKey=RIYCICFDXLNQPV-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 120.42 ChemAxon
Refractivity 72.44 ChemAxon
Polarizability 25.51 ChemAxon
Rotatable Bond Count 1 ChemAxon
H Bond Acceptor Count 6 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 7.11 ChemAxon
pKa (strongest basic) -5.2 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 3 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Casein kinase II subunit alpha : in Human