CID 159859657

BaFI5Zn — CID 159859657

IUPAC—
SMILESFI.[Ba+2].[I-].[I-].[I-].[I-].[Zn+2]
InChIInChI=1S/Ba.FI.4HI.Zn/c;1-2;;;;;/h;;4*1H;/q+2;;;;;;+2/p-4
InChIKeyNQZAQNRIBXLOQV-UHFFFAOYSA-J
MW856.24 g/mol
LogP-11.06
Rot. Bonds

About CID 159859657

CID 159859657 (PubChem CID 159859657) has the molecular formula BaFI5Zn and a molecular weight of 856.24 g/mol.

Molecular Properties

Compound NameCID 159859657
PubChem CID159859657
Molecular FormulaBaFI5Zn
Molecular Weight856.24 g/mol
Exact Mass855.36
IUPAC Name—
SMILESFI.[Ba+2].[I-].[I-].[I-].[I-].[Zn+2]
InChIInChI=1S/Ba.FI.4HI.Zn/c;1-2;;;;;/h;;4*1H;/q+2;;;;;;+2/p-4
InChIKeyNQZAQNRIBXLOQV-UHFFFAOYSA-J
XLogP-11.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500856.24
LogP ≤ 5-11.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 159859657?
The IUPAC name of CID 159859657 (CID 159859657) is not available.
What is the SMILES notation for CID 159859657?
The canonical SMILES for CID 159859657 is FI.[Ba+2].[I-].[I-].[I-].[I-].[Zn+2].
What is the InChIKey of CID 159859657?
The InChIKey is NQZAQNRIBXLOQV-UHFFFAOYSA-J. The full InChI is InChI=1S/Ba.FI.4HI.Zn/c;1-2;;;;;/h;;4*1H;/q+2;;;;;;+2/p-4.
What are the key properties of CID 159859657?
CID 159859657 has a molecular weight of 856.24 g/mol, XLogP of -11.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159859657 is sourced from PubChem (CID 159859657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).