cobalt(2+);nickel(2+);sulfamic acid;disulfate

H3CoNNiO11S3 — CID 174840417

IUPACcobalt(2+);nickel(2+);sulfamic acid;disulfate
SMILESNS(=O)(=O)O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Co+2].[Ni+2]
InChIInChI=1S/Co.H3NO3S.Ni.2H2O4S/c;1-5(2,3)4;;2*1-5(2,3)4/h;(H3,1,2,3,4);;2*(H2,1,2,3,4)/q+2;;+2;;/p-4
InChIKeyMUKOHJFQTNUTCZ-UHFFFAOYSA-J
MW406.85 g/mol
LogP-3.93
Rot. Bonds

About cobalt(2+);nickel(2+);sulfamic acid;disulfate

cobalt(2+);nickel(2+);sulfamic acid;disulfate (PubChem CID 174840417) has the molecular formula H3CoNNiO11S3 and a molecular weight of 406.85 g/mol. Its IUPAC name is cobalt(2+);nickel(2+);sulfamic acid;disulfate.

Molecular Properties

Compound Namecobalt(2+);nickel(2+);sulfamic acid;disulfate
PubChem CID174840417
Molecular FormulaH3CoNNiO11S3
Molecular Weight406.85 g/mol
Exact Mass405.76
IUPAC Namecobalt(2+);nickel(2+);sulfamic acid;disulfate
SMILESNS(=O)(=O)O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Co+2].[Ni+2]
InChIInChI=1S/Co.H3NO3S.Ni.2H2O4S/c;1-5(2,3)4;;2*1-5(2,3)4/h;(H3,1,2,3,4);;2*(H2,1,2,3,4)/q+2;;+2;;/p-4
InChIKeyMUKOHJFQTNUTCZ-UHFFFAOYSA-J
XLogP-3.93
TPSA240.91 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.85
LogP ≤ 5-3.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze cobalt(2+);nickel(2+);sulfamic acid;disulfate 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

bis(nickel(2+));sulfamic acid;disulfate
CID 157251351
cobalt(2+);nickel(2+);tetrasulfamate
CID 160768956
lithium;silver;sulfuric acid;sulfate
CID 158234411
sulfamic acid;yttrium
CID 159754211
methane;sulfamic acid
CID 87277660
azane;sulfamic acid
CID 172811731
CID 131847531
CID 131847531
cobalt(2+) disulfamate
CID 26398
disulfanium;sulfuric acid;sulfate
CID 172711124
ethane;sulfamic acid
CID 172846940
tetrasodium;sulfuric acid;disulfate
CID 172828652
decacalcium;sulfuric acid;decasulfate
CID 173083676

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);nickel(2+);sulfamic acid;disulfate?
The IUPAC name of cobalt(2+);nickel(2+);sulfamic acid;disulfate (CID 174840417) is cobalt(2+);nickel(2+);sulfamic acid;disulfate.
What is the SMILES notation for cobalt(2+);nickel(2+);sulfamic acid;disulfate?
The canonical SMILES for cobalt(2+);nickel(2+);sulfamic acid;disulfate is NS(=O)(=O)O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Co+2].[Ni+2].
What is the InChIKey of cobalt(2+);nickel(2+);sulfamic acid;disulfate?
The InChIKey is MUKOHJFQTNUTCZ-UHFFFAOYSA-J. The full InChI is InChI=1S/Co.H3NO3S.Ni.2H2O4S/c;1-5(2,3)4;;2*1-5(2,3)4/h;(H3,1,2,3,4);;2*(H2,1,2,3,4)/q+2;;+2;;/p-4.
What are the key properties of cobalt(2+);nickel(2+);sulfamic acid;disulfate?
cobalt(2+);nickel(2+);sulfamic acid;disulfate has a molecular weight of 406.85 g/mol, XLogP of -3.93, 0 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);nickel(2+);sulfamic acid;disulfate is sourced from PubChem (CID 174840417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).