CID 173174341

H7AlCaFeMgNa — CID 173174341

IUPAC—
SMILES[AlH2].[Ca+2].[Fe].[H-].[H-].[H-].[H-].[H-].[Mg+2].[Na+]
InChIInChI=1S/Al.Ca.Fe.Mg.Na.7H/q;+2;;+2;+1;;;5*-1
InChIKeyAGVHUXRQFZDXBW-UHFFFAOYSA-N
MW177.26 g/mol
LogP-4.11
Rot. Bonds

About CID 173174341

CID 173174341 (PubChem CID 173174341) has the molecular formula H7AlCaFeMgNa and a molecular weight of 177.26 g/mol.

Molecular Properties

Compound NameCID 173174341
PubChem CID173174341
Molecular FormulaH7AlCaFeMgNa
Molecular Weight177.26 g/mol
Exact Mass176.91
IUPAC Name—
SMILES[AlH2].[Ca+2].[Fe].[H-].[H-].[H-].[H-].[H-].[Mg+2].[Na+]
InChIInChI=1S/Al.Ca.Fe.Mg.Na.7H/q;+2;;+2;+1;;;5*-1
InChIKeyAGVHUXRQFZDXBW-UHFFFAOYSA-N
XLogP-4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.26
LogP ≤ 5-4.11
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 173174341?
The IUPAC name of CID 173174341 (CID 173174341) is not available.
What is the SMILES notation for CID 173174341?
The canonical SMILES for CID 173174341 is [AlH2].[Ca+2].[Fe].[H-].[H-].[H-].[H-].[H-].[Mg+2].[Na+].
What is the InChIKey of CID 173174341?
The InChIKey is AGVHUXRQFZDXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.Ca.Fe.Mg.Na.7H/q;+2;;+2;+1;;;5*-1.
What are the key properties of CID 173174341?
CID 173174341 has a molecular weight of 177.26 g/mol, XLogP of -4.11, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173174341 is sourced from PubChem (CID 173174341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).