CID 161395779

CH4BCoFe — CID 161395779

IUPAC—
SMILESC.[B].[Co].[Fe]
InChIInChI=1S/CH4.B.Co.Fe/h1H4;;;
InChIKeyTWXOURLKWMHDTJ-UHFFFAOYSA-N
MW141.63 g/mol
LogP0.25
Rot. Bonds

About CID 161395779

CID 161395779 (PubChem CID 161395779) has the molecular formula CH4BCoFe and a molecular weight of 141.63 g/mol.

Molecular Properties

Compound NameCID 161395779
PubChem CID161395779
Molecular FormulaCH4BCoFe
Molecular Weight141.63 g/mol
Exact Mass141.91
IUPAC Name—
SMILESC.[B].[Co].[Fe]
InChIInChI=1S/CH4.B.Co.Fe/h1H4;;;
InChIKeyTWXOURLKWMHDTJ-UHFFFAOYSA-N
XLogP0.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.63
LogP ≤ 50.25
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 161395779?
The IUPAC name of CID 161395779 (CID 161395779) is not available.
What is the SMILES notation for CID 161395779?
The canonical SMILES for CID 161395779 is C.[B].[Co].[Fe].
What is the InChIKey of CID 161395779?
The InChIKey is TWXOURLKWMHDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4.B.Co.Fe/h1H4;;;.
What are the key properties of CID 161395779?
CID 161395779 has a molecular weight of 141.63 g/mol, XLogP of 0.25, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161395779 is sourced from PubChem (CID 161395779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).