CID 58003845

HBIK — CID 58003845

IUPAC—
SMILES[2H][I-][B].[K+]
InChIInChI=1S/BHI.K/c1-2;/h2H;/q-1;+1/i2D;
InChIKeyOVAXJZPAUOXFHW-YPAXDSTQSA-N
MW178.83 g/mol
LogP-6.64
Rot. Bonds

About CID 58003845

CID 58003845 (PubChem CID 58003845) has the molecular formula HBIK and a molecular weight of 178.83 g/mol.

Molecular Properties

Compound NameCID 58003845
PubChem CID58003845
Molecular FormulaHBIK
Molecular Weight178.83 g/mol
Exact Mass178.89
IUPAC Name—
SMILES[2H][I-][B].[K+]
InChIInChI=1S/BHI.K/c1-2;/h2H;/q-1;+1/i2D;
InChIKeyOVAXJZPAUOXFHW-YPAXDSTQSA-N
XLogP-6.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.83
LogP ≤ 5-6.64
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 58003845?
The IUPAC name of CID 58003845 (CID 58003845) is not available.
What is the SMILES notation for CID 58003845?
The canonical SMILES for CID 58003845 is [2H][I-][B].[K+].
What is the InChIKey of CID 58003845?
The InChIKey is OVAXJZPAUOXFHW-YPAXDSTQSA-N. The full InChI is InChI=1S/BHI.K/c1-2;/h2H;/q-1;+1/i2D;.
What are the key properties of CID 58003845?
CID 58003845 has a molecular weight of 178.83 g/mol, XLogP of -6.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58003845 is sourced from PubChem (CID 58003845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).