tris(nickel(2+)) diarsorate

As2Ni3O8 — CID 19786074

IUPACtris(nickel(2+)) diarsorate
SMILESO=[As]([O-])([O-])[O-].O=[As]([O-])([O-])[O-].[Ni+2].[Ni+2].[Ni+2]
InChIInChI=1S/2AsH3O4.3Ni/c2*2-1(3,4)5;;;/h2*(H3,2,3,4,5);;;/q;;3*+2/p-6
InChIKeyYWLMLDISGOHLFG-UHFFFAOYSA-H
MW453.92 g/mol
LogP-8.14
Rot. Bonds

About tris(nickel(2+)) diarsorate

tris(nickel(2+)) diarsorate (PubChem CID 19786074) has the molecular formula As2Ni3O8 and a molecular weight of 453.92 g/mol. Its IUPAC name is tris(nickel(2+)) diarsorate.

Molecular Properties

Compound Nametris(nickel(2+)) diarsorate
PubChem CID19786074
Molecular FormulaAs2Ni3O8
Molecular Weight453.92 g/mol
Exact Mass451.61
IUPAC Nametris(nickel(2+)) diarsorate
SMILESO=[As]([O-])([O-])[O-].O=[As]([O-])([O-])[O-].[Ni+2].[Ni+2].[Ni+2]
InChIInChI=1S/2AsH3O4.3Ni/c2*2-1(3,4)5;;;/h2*(H3,2,3,4,5);;;/q;;3*+2/p-6
InChIKeyYWLMLDISGOHLFG-UHFFFAOYSA-H
XLogP-8.14
TPSA172.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.92
LogP ≤ 5-8.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tris(nickel(2+)) diarsorate 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

diazanium;arsorate
CID 23618854
tris(zirconium(4+));tetraarsorate
CID 173165970
nickel(3+) arsorate
CID 57348043
tricopper diarsorate
CID 26065
azanium;molybdenum(2+);arsorate
CID 174277284
tris(zirconium(4+));tetraarsorate;hydrate
CID 173447280
CID 175362021
CID 175362021
oxygen(2-);vanadium;arsorate
CID 173069015
tris(dioxouranium(2+)) diarsorate
CID 19854285
tricopper;tris(dioxouranium(2+));tetraarsorate
CID 19854267
pentacopper;sodium;hydrogen arsorate;triarsorate
CID 165361798
hydrogen arsorate
CID 233

Frequently Asked Questions

What is the IUPAC name of tris(nickel(2+)) diarsorate?
The IUPAC name of tris(nickel(2+)) diarsorate (CID 19786074) is tris(nickel(2+)) diarsorate.
What is the SMILES notation for tris(nickel(2+)) diarsorate?
The canonical SMILES for tris(nickel(2+)) diarsorate is O=[As]([O-])([O-])[O-].O=[As]([O-])([O-])[O-].[Ni+2].[Ni+2].[Ni+2].
What is the InChIKey of tris(nickel(2+)) diarsorate?
The InChIKey is YWLMLDISGOHLFG-UHFFFAOYSA-H. The full InChI is InChI=1S/2AsH3O4.3Ni/c2*2-1(3,4)5;;;/h2*(H3,2,3,4,5);;;/q;;3*+2/p-6.
What are the key properties of tris(nickel(2+)) diarsorate?
tris(nickel(2+)) diarsorate has a molecular weight of 453.92 g/mol, XLogP of -8.14, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tris(nickel(2+)) diarsorate is sourced from PubChem (CID 19786074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).