hexaazanium;nickel(2+);octachloride

H24Cl8N6Ni — CID 160524315

IUPAChexaazanium;nickel(2+);octachloride
SMILES[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[Ni+2]
InChIInChI=1S/8ClH.6H3N.Ni/h8*1H;6*1H3;/q;;;;;;;;;;;;;;+2/p-2
InChIKeyQUROVNLIIIBCTG-UHFFFAOYSA-L
MW450.55 g/mol
LogP-21.71
Rot. Bonds

About hexaazanium;nickel(2+);octachloride

hexaazanium;nickel(2+);octachloride (PubChem CID 160524315) has the molecular formula H24Cl8N6Ni and a molecular weight of 450.55 g/mol. Its IUPAC name is hexaazanium;nickel(2+);octachloride.

Molecular Properties

Compound Namehexaazanium;nickel(2+);octachloride
PubChem CID160524315
Molecular FormulaH24Cl8N6Ni
Molecular Weight450.55 g/mol
Exact Mass445.89
IUPAC Namehexaazanium;nickel(2+);octachloride
SMILES[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[Ni+2]
InChIInChI=1S/8ClH.6H3N.Ni/h8*1H;6*1H3;/q;;;;;;;;;;;;;;+2/p-2
InChIKeyQUROVNLIIIBCTG-UHFFFAOYSA-L
XLogP-21.71
TPSA219.00 Ų
H-Bond Donors6
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.55
LogP ≤ 5-21.71
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of hexaazanium;nickel(2+);octachloride?
The IUPAC name of hexaazanium;nickel(2+);octachloride (CID 160524315) is hexaazanium;nickel(2+);octachloride.
What is the SMILES notation for hexaazanium;nickel(2+);octachloride?
The canonical SMILES for hexaazanium;nickel(2+);octachloride is [Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[Ni+2].
What is the InChIKey of hexaazanium;nickel(2+);octachloride?
The InChIKey is QUROVNLIIIBCTG-UHFFFAOYSA-L. The full InChI is InChI=1S/8ClH.6H3N.Ni/h8*1H;6*1H3;/q;;;;;;;;;;;;;;+2/p-2.
What are the key properties of hexaazanium;nickel(2+);octachloride?
hexaazanium;nickel(2+);octachloride has a molecular weight of 450.55 g/mol, XLogP of -21.71, 0 rotatable bonds, 6 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexaazanium;nickel(2+);octachloride is sourced from PubChem (CID 160524315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).