CID 174461110

H6AuBaCdLiRbSbYZr — CID 174461110

IUPAC—
SMILES[Au].[Ba+2].[Cd].[H-].[H-].[H-].[H-].[Li+].[Rb+].[SbH2].[Y].[Zr]
InChIInChI=1S/Au.Ba.Cd.Li.Rb.Sb.Y.Zr.6H/q;+2;;2*+1;;;;;;4*-1
InChIKeyPLCGHVGKBXLWQH-UHFFFAOYSA-N
MW847.05 g/mol
LogP-6.85
Rot. Bonds

About CID 174461110

CID 174461110 (PubChem CID 174461110) has the molecular formula H6AuBaCdLiRbSbYZr and a molecular weight of 847.05 g/mol.

Molecular Properties

Compound NameCID 174461110
PubChem CID174461110
Molecular FormulaH6AuBaCdLiRbSbYZr
Molecular Weight847.05 g/mol
Exact Mass846.46
IUPAC Name—
SMILES[Au].[Ba+2].[Cd].[H-].[H-].[H-].[H-].[Li+].[Rb+].[SbH2].[Y].[Zr]
InChIInChI=1S/Au.Ba.Cd.Li.Rb.Sb.Y.Zr.6H/q;+2;;2*+1;;;;;;4*-1
InChIKeyPLCGHVGKBXLWQH-UHFFFAOYSA-N
XLogP-6.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500847.05
LogP ≤ 5-6.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 174461110?
The IUPAC name of CID 174461110 (CID 174461110) is not available.
What is the SMILES notation for CID 174461110?
The canonical SMILES for CID 174461110 is [Au].[Ba+2].[Cd].[H-].[H-].[H-].[H-].[Li+].[Rb+].[SbH2].[Y].[Zr].
What is the InChIKey of CID 174461110?
The InChIKey is PLCGHVGKBXLWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/Au.Ba.Cd.Li.Rb.Sb.Y.Zr.6H/q;+2;;2*+1;;;;;;4*-1.
What are the key properties of CID 174461110?
CID 174461110 has a molecular weight of 847.05 g/mol, XLogP of -6.85, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174461110 is sourced from PubChem (CID 174461110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).