azane;nickel;sulfuric acid;hexahydrate

H22N2NiO14S2 — CID 131859332

IUPACazane;nickel;sulfuric acid;hexahydrate
SMILESN.N.O.O.O.O.O.O.O=S(=O)(O)O.O=S(=O)(O)O.[Ni]
InChIInChI=1S/2H3N.Ni.2H2O4S.6H2O/c;;;2*1-5(2,3)4;;;;;;/h2*1H3;;2*(H2,1,2,3,4);6*1H2
InChIKeyPIAOYWSBYSQAIT-UHFFFAOYSA-N
MW397.00 g/mol
LogP-5.93
Rot. Bonds

About azane;nickel;sulfuric acid;hexahydrate

azane;nickel;sulfuric acid;hexahydrate (PubChem CID 131859332) has the molecular formula H22N2NiO14S2 and a molecular weight of 397.00 g/mol. Its IUPAC name is azane;nickel;sulfuric acid;hexahydrate.

Molecular Properties

Compound Nameazane;nickel;sulfuric acid;hexahydrate
PubChem CID131859332
Molecular FormulaH22N2NiO14S2
Molecular Weight397.00 g/mol
Exact Mass395.99
IUPAC Nameazane;nickel;sulfuric acid;hexahydrate
SMILESN.N.O.O.O.O.O.O.O=S(=O)(O)O.O=S(=O)(O)O.[Ni]
InChIInChI=1S/2H3N.Ni.2H2O4S.6H2O/c;;;2*1-5(2,3)4;;;;;;/h2*1H3;;2*(H2,1,2,3,4);6*1H2
InChIKeyPIAOYWSBYSQAIT-UHFFFAOYSA-N
XLogP-5.93
TPSA408.20 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.00
LogP ≤ 5-5.93
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

azane;sulfuric acid;hexahydrate
CID 173404062
nickel;sulfuric acid;pentahydrate
CID 173152474
sulfuric acid;tridecahydrate
CID 71366893
azane;sulfuric acid
CID 173165368
azane;hydrazine;sulfuric acid;hydrate
CID 174464189
azane;methanol;sulfuric acid;hydrate
CID 174924142
nickel;sulfuric acid;zirconium
CID 173349442
sulfuric acid;zinc;heptahydrate
CID 174726437
cerium;sulfuric acid;nonahydrate
CID 173422966
europium;sulfuric acid;trihydrate
CID 175365379
methane;sulfuric acid;hydrate
CID 174518914
alumane;sulfuric acid;hexahydrate
CID 174932074

Frequently Asked Questions

What is the IUPAC name of azane;nickel;sulfuric acid;hexahydrate?
The IUPAC name of azane;nickel;sulfuric acid;hexahydrate (CID 131859332) is azane;nickel;sulfuric acid;hexahydrate.
What is the SMILES notation for azane;nickel;sulfuric acid;hexahydrate?
The canonical SMILES for azane;nickel;sulfuric acid;hexahydrate is N.N.O.O.O.O.O.O.O=S(=O)(O)O.O=S(=O)(O)O.[Ni].
What is the InChIKey of azane;nickel;sulfuric acid;hexahydrate?
The InChIKey is PIAOYWSBYSQAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/2H3N.Ni.2H2O4S.6H2O/c;;;2*1-5(2,3)4;;;;;;/h2*1H3;;2*(H2,1,2,3,4);6*1H2.
What are the key properties of azane;nickel;sulfuric acid;hexahydrate?
azane;nickel;sulfuric acid;hexahydrate has a molecular weight of 397.00 g/mol, XLogP of -5.93, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;nickel;sulfuric acid;hexahydrate is sourced from PubChem (CID 131859332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).