CID 172722966

BCuFeNdNi2 — CID 172722966

IUPAC—
SMILES[B].[Cu].[Fe].[Nd].[Ni].[Ni]
InChIInChI=1S/B.Cu.Fe.Nd.2Ni
InChIKeyGTMJWNJPVRGQIH-UHFFFAOYSA-N
MW391.83 g/mol
LogP-0.39
Rot. Bonds

About CID 172722966

CID 172722966 (PubChem CID 172722966) has the molecular formula BCuFeNdNi2 and a molecular weight of 391.83 g/mol.

Molecular Properties

Compound NameCID 172722966
PubChem CID172722966
Molecular FormulaBCuFeNdNi2
Molecular Weight391.83 g/mol
Exact Mass387.65
IUPAC Name—
SMILES[B].[Cu].[Fe].[Nd].[Ni].[Ni]
InChIInChI=1S/B.Cu.Fe.Nd.2Ni
InChIKeyGTMJWNJPVRGQIH-UHFFFAOYSA-N
XLogP-0.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.83
LogP ≤ 5-0.39
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 172722966?
The IUPAC name of CID 172722966 (CID 172722966) is not available.
What is the SMILES notation for CID 172722966?
The canonical SMILES for CID 172722966 is [B].[Cu].[Fe].[Nd].[Ni].[Ni].
What is the InChIKey of CID 172722966?
The InChIKey is GTMJWNJPVRGQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/B.Cu.Fe.Nd.2Ni.
What are the key properties of CID 172722966?
CID 172722966 has a molecular weight of 391.83 g/mol, XLogP of -0.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172722966 is sourced from PubChem (CID 172722966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).