copper bis(2-chloro-3,4-dioxonaphthalen-1-olate)

C20H8Cl2CuO6 — CID 102196956

IUPACcopper bis(2-chloro-3,4-dioxonaphthalen-1-olate)
SMILESO=C1C(=O)c2ccccc2C([O-])=C1Cl.O=C1C(=O)c2ccccc2C([O-])=C1Cl.[Cu+2]
InChIInChI=1S/2C10H5ClO3.Cu/c2*11-7-8(12)5-3-1-2-4-6(5)9(13)10(7)14;/h2*1-4,12H;/q;;+2/p-2
InChIKeyJPVIUASANDNSSC-UHFFFAOYSA-L
MW478.73 g/mol
LogP1.44
Rot. Bonds

About copper bis(2-chloro-3,4-dioxonaphthalen-1-olate)

copper bis(2-chloro-3,4-dioxonaphthalen-1-olate) (PubChem CID 102196956) has the molecular formula C20H8Cl2CuO6 and a molecular weight of 478.73 g/mol. Its IUPAC name is copper bis(2-chloro-3,4-dioxonaphthalen-1-olate).

Molecular Properties

Compound Namecopper bis(2-chloro-3,4-dioxonaphthalen-1-olate)
PubChem CID102196956
Molecular FormulaC20H8Cl2CuO6
Molecular Weight478.73 g/mol
Exact Mass476.90
IUPAC Namecopper bis(2-chloro-3,4-dioxonaphthalen-1-olate)
SMILESO=C1C(=O)c2ccccc2C([O-])=C1Cl.O=C1C(=O)c2ccccc2C([O-])=C1Cl.[Cu+2]
InChIInChI=1S/2C10H5ClO3.Cu/c2*11-7-8(12)5-3-1-2-4-6(5)9(13)10(7)14;/h2*1-4,12H;/q;;+2/p-2
InChIKeyJPVIUASANDNSSC-UHFFFAOYSA-L
XLogP1.44
TPSA114.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.73
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze copper bis(2-chloro-3,4-dioxonaphthalen-1-olate) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 67824005
CID 67824005
phenanthrene-9,10-dione
CID 6763
CID 118898551
CID 118898551
4-chloro-3-nitronaphthalene-1,2-dione
CID 14856673
2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diolate
CID 3788808
CID 66807709
CID 66807709
lithium;anthracene-9,10-dione;hydride
CID 174683199
anthracene-9,10-dione;hydrofluoride
CID 172728823
3-chlorophenanthrene-9,10-dione
CID 67151037
sodium 2-[3-(4-chlorophenyl)prop-2-enoyl]-3-oxoinden-1-olate
CID 71829921
2,3-dichloronaphthalene-1,4-dione;2,3-dichlorophenol
CID 175429838
anthracene-9,10-dione;platinum(2+);dichloride
CID 174702138

Frequently Asked Questions

What is the IUPAC name of copper bis(2-chloro-3,4-dioxonaphthalen-1-olate)?
The IUPAC name of copper bis(2-chloro-3,4-dioxonaphthalen-1-olate) (CID 102196956) is copper bis(2-chloro-3,4-dioxonaphthalen-1-olate).
What is the SMILES notation for copper bis(2-chloro-3,4-dioxonaphthalen-1-olate)?
The canonical SMILES for copper bis(2-chloro-3,4-dioxonaphthalen-1-olate) is O=C1C(=O)c2ccccc2C([O-])=C1Cl.O=C1C(=O)c2ccccc2C([O-])=C1Cl.[Cu+2].
What is the InChIKey of copper bis(2-chloro-3,4-dioxonaphthalen-1-olate)?
The InChIKey is JPVIUASANDNSSC-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H5ClO3.Cu/c2*11-7-8(12)5-3-1-2-4-6(5)9(13)10(7)14;/h2*1-4,12H;/q;;+2/p-2.
What are the key properties of copper bis(2-chloro-3,4-dioxonaphthalen-1-olate)?
copper bis(2-chloro-3,4-dioxonaphthalen-1-olate) has a molecular weight of 478.73 g/mol, XLogP of 1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(2-chloro-3,4-dioxonaphthalen-1-olate) is sourced from PubChem (CID 102196956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).