CID 174712931

H5BCaMgOZn — CID 174712931

IUPAC—
SMILES[B]O.[Ca+2].[H-].[H-].[H-].[H-].[Mg+2].[Zn]
InChIInChI=1S/BHO.Ca.Mg.Zn.4H/c1-2;;;;;;;/h2H;;;;;;;/q;2*+2;;4*-1
InChIKeyUAQPLIQBOYJERI-UHFFFAOYSA-N
MW161.62 g/mol
LogP-1.25
Rot. Bonds

About CID 174712931

CID 174712931 (PubChem CID 174712931) has the molecular formula H5BCaMgOZn and a molecular weight of 161.62 g/mol.

Molecular Properties

Compound NameCID 174712931
PubChem CID174712931
Molecular FormulaH5BCaMgOZn
Molecular Weight161.62 g/mol
Exact Mass159.92
IUPAC Name—
SMILES[B]O.[Ca+2].[H-].[H-].[H-].[H-].[Mg+2].[Zn]
InChIInChI=1S/BHO.Ca.Mg.Zn.4H/c1-2;;;;;;;/h2H;;;;;;;/q;2*+2;;4*-1
InChIKeyUAQPLIQBOYJERI-UHFFFAOYSA-N
XLogP-1.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.62
LogP ≤ 5-1.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 174712931?
The IUPAC name of CID 174712931 (CID 174712931) is not available.
What is the SMILES notation for CID 174712931?
The canonical SMILES for CID 174712931 is [B]O.[Ca+2].[H-].[H-].[H-].[H-].[Mg+2].[Zn].
What is the InChIKey of CID 174712931?
The InChIKey is UAQPLIQBOYJERI-UHFFFAOYSA-N. The full InChI is InChI=1S/BHO.Ca.Mg.Zn.4H/c1-2;;;;;;;/h2H;;;;;;;/q;2*+2;;4*-1.
What are the key properties of CID 174712931?
CID 174712931 has a molecular weight of 161.62 g/mol, XLogP of -1.25, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174712931 is sourced from PubChem (CID 174712931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).