CID 175306017

H2B2FeMgO — CID 175306017

IUPAC—
SMILES[B].[B]=O.[Fe].[H-].[H-].[Mg+2]
InChIInChI=1S/BO.B.Fe.Mg.2H/c1-2;;;;;/q;;;+2;2*-1
InChIKeyAWJDDSNEQFOMNM-UHFFFAOYSA-N
MW119.79 g/mol
LogP-1.04
Rot. Bonds

About CID 175306017

CID 175306017 (PubChem CID 175306017) has the molecular formula H2B2FeMgO and a molecular weight of 119.79 g/mol.

Molecular Properties

Compound NameCID 175306017
PubChem CID175306017
Molecular FormulaH2B2FeMgO
Molecular Weight119.79 g/mol
Exact Mass119.95
IUPAC Name—
SMILES[B].[B]=O.[Fe].[H-].[H-].[Mg+2]
InChIInChI=1S/BO.B.Fe.Mg.2H/c1-2;;;;;/q;;;+2;2*-1
InChIKeyAWJDDSNEQFOMNM-UHFFFAOYSA-N
XLogP-1.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.79
LogP ≤ 5-1.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 175306017 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 175306017?
The IUPAC name of CID 175306017 (CID 175306017) is not available.
What is the SMILES notation for CID 175306017?
The canonical SMILES for CID 175306017 is [B].[B]=O.[Fe].[H-].[H-].[Mg+2].
What is the InChIKey of CID 175306017?
The InChIKey is AWJDDSNEQFOMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/BO.B.Fe.Mg.2H/c1-2;;;;;/q;;;+2;2*-1.
What are the key properties of CID 175306017?
CID 175306017 has a molecular weight of 119.79 g/mol, XLogP of -1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175306017 is sourced from PubChem (CID 175306017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).