CID 161103001

BNiO — CID 161103001

IUPAC—
SMILESO=[Ni].[B]
InChIInChI=1S/B.Ni.O
InChIKeyUIRGBSMZIPFUAW-UHFFFAOYSA-N
MW85.50 g/mol
LogP-0.50
Rot. Bonds

About CID 161103001

CID 161103001 (PubChem CID 161103001) has the molecular formula BNiO and a molecular weight of 85.50 g/mol.

Molecular Properties

Compound NameCID 161103001
PubChem CID161103001
Molecular FormulaBNiO
Molecular Weight85.50 g/mol
Exact Mass84.94
IUPAC Name—
SMILESO=[Ni].[B]
InChIInChI=1S/B.Ni.O
InChIKeyUIRGBSMZIPFUAW-UHFFFAOYSA-N
XLogP-0.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.50
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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dialuminum;oxonickel;tris(oxygen(2-))
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Frequently Asked Questions

What is the IUPAC name of CID 161103001?
The IUPAC name of CID 161103001 (CID 161103001) is not available.
What is the SMILES notation for CID 161103001?
The canonical SMILES for CID 161103001 is O=[Ni].[B].
What is the InChIKey of CID 161103001?
The InChIKey is UIRGBSMZIPFUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/B.Ni.O.
What are the key properties of CID 161103001?
CID 161103001 has a molecular weight of 85.50 g/mol, XLogP of -0.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161103001 is sourced from PubChem (CID 161103001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).