CID 162021286

AlCoNiO6S2+5 — CID 162021286

IUPAC—
SMILESO=S(=O)([O-])S(=O)(=O)[O-].[Al+3].[Co+2].[Ni+2]
InChIInChI=1S/Al.Co.Ni.H2O6S2/c;;;1-7(2,3)8(4,5)6/h;;;(H,1,2,3)(H,4,5,6)/q+3;2*+2;/p-2
InChIKeyYUTZHEQSSCWEHP-UHFFFAOYSA-L
MW304.74 g/mol
LogP-2.39
Rot. Bonds1

About CID 162021286

CID 162021286 (PubChem CID 162021286) has the molecular formula AlCoNiO6S2+5 and a molecular weight of 304.74 g/mol.

Molecular Properties

Compound NameCID 162021286
PubChem CID162021286
Molecular FormulaAlCoNiO6S2+5
Molecular Weight304.74 g/mol
Exact Mass303.76
IUPAC Name—
SMILESO=S(=O)([O-])S(=O)(=O)[O-].[Al+3].[Co+2].[Ni+2]
InChIInChI=1S/Al.Co.Ni.H2O6S2/c;;;1-7(2,3)8(4,5)6/h;;;(H,1,2,3)(H,4,5,6)/q+3;2*+2;/p-2
InChIKeyYUTZHEQSSCWEHP-UHFFFAOYSA-L
XLogP-2.39
TPSA114.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.74
LogP ≤ 5-2.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 162021286?
The IUPAC name of CID 162021286 (CID 162021286) is not available.
What is the SMILES notation for CID 162021286?
The canonical SMILES for CID 162021286 is O=S(=O)([O-])S(=O)(=O)[O-].[Al+3].[Co+2].[Ni+2].
What is the InChIKey of CID 162021286?
The InChIKey is YUTZHEQSSCWEHP-UHFFFAOYSA-L. The full InChI is InChI=1S/Al.Co.Ni.H2O6S2/c;;;1-7(2,3)8(4,5)6/h;;;(H,1,2,3)(H,4,5,6)/q+3;2*+2;/p-2.
What are the key properties of CID 162021286?
CID 162021286 has a molecular weight of 304.74 g/mol, XLogP of -2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162021286 is sourced from PubChem (CID 162021286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).