CID 174533278

H4BCaFeMg — CID 174533278

IUPAC—
SMILES[B].[Ca+2].[Fe].[H-].[H-].[H-].[H-].[Mg+2]
InChIInChI=1S/B.Ca.Fe.Mg.4H/q;+2;;+2;4*-1
InChIKeyBTFAZSLKDFGNQB-UHFFFAOYSA-N
MW135.07 g/mol
LogP-0.69
Rot. Bonds

About CID 174533278

CID 174533278 (PubChem CID 174533278) has the molecular formula H4BCaFeMg and a molecular weight of 135.07 g/mol.

Molecular Properties

Compound NameCID 174533278
PubChem CID174533278
Molecular FormulaH4BCaFeMg
Molecular Weight135.07 g/mol
Exact Mass134.92
IUPAC Name—
SMILES[B].[Ca+2].[Fe].[H-].[H-].[H-].[H-].[Mg+2]
InChIInChI=1S/B.Ca.Fe.Mg.4H/q;+2;;+2;4*-1
InChIKeyBTFAZSLKDFGNQB-UHFFFAOYSA-N
XLogP-0.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.07
LogP ≤ 5-0.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 174533278?
The IUPAC name of CID 174533278 (CID 174533278) is not available.
What is the SMILES notation for CID 174533278?
The canonical SMILES for CID 174533278 is [B].[Ca+2].[Fe].[H-].[H-].[H-].[H-].[Mg+2].
What is the InChIKey of CID 174533278?
The InChIKey is BTFAZSLKDFGNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/B.Ca.Fe.Mg.4H/q;+2;;+2;4*-1.
What are the key properties of CID 174533278?
CID 174533278 has a molecular weight of 135.07 g/mol, XLogP of -0.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174533278 is sourced from PubChem (CID 174533278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).