CID 172734882

CH4BFeNiSi — CID 172734882

IUPAC—
SMILESC.[B].[Fe].[Ni].[Si]
InChIInChI=1S/CH4.B.Fe.Ni.Si/h1H4;;;;
InChIKeyGHJLLZUICIUVGU-UHFFFAOYSA-N
MW169.48 g/mol
LogP-0.13
Rot. Bonds

About CID 172734882

CID 172734882 (PubChem CID 172734882) has the molecular formula CH4BFeNiSi and a molecular weight of 169.48 g/mol.

Molecular Properties

Compound NameCID 172734882
PubChem CID172734882
Molecular FormulaCH4BFeNiSi
Molecular Weight169.48 g/mol
Exact Mass168.89
IUPAC Name—
SMILESC.[B].[Fe].[Ni].[Si]
InChIInChI=1S/CH4.B.Fe.Ni.Si/h1H4;;;;
InChIKeyGHJLLZUICIUVGU-UHFFFAOYSA-N
XLogP-0.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.48
LogP ≤ 5-0.13
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 172734882?
The IUPAC name of CID 172734882 (CID 172734882) is not available.
What is the SMILES notation for CID 172734882?
The canonical SMILES for CID 172734882 is C.[B].[Fe].[Ni].[Si].
What is the InChIKey of CID 172734882?
The InChIKey is GHJLLZUICIUVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4.B.Fe.Ni.Si/h1H4;;;;.
What are the key properties of CID 172734882?
CID 172734882 has a molecular weight of 169.48 g/mol, XLogP of -0.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172734882 is sourced from PubChem (CID 172734882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).