azanium;gadolinium;nitrate

H4GdN2O3 — CID 174958053

IUPACazanium;gadolinium;nitrate
SMILESO=[N+]([O-])[O-].[Gd].[NH4+]
InChIInChI=1S/Gd.NO3.H3N/c;2-1(3)4;/h;;1H3/q;-1;/p+1
InChIKeyFNPXNUVWANSUBR-UHFFFAOYSA-O
MW237.29 g/mol
LogP0.14
Rot. Bonds

About azanium;gadolinium;nitrate

azanium;gadolinium;nitrate (PubChem CID 174958053) has the molecular formula H4GdN2O3 and a molecular weight of 237.29 g/mol. Its IUPAC name is azanium;gadolinium;nitrate.

Molecular Properties

Compound Nameazanium;gadolinium;nitrate
PubChem CID174958053
Molecular FormulaH4GdN2O3
Molecular Weight237.29 g/mol
Exact Mass237.95
IUPAC Nameazanium;gadolinium;nitrate
SMILESO=[N+]([O-])[O-].[Gd].[NH4+]
InChIInChI=1S/Gd.NO3.H3N/c;2-1(3)4;/h;;1H3/q;-1;/p+1
InChIKeyFNPXNUVWANSUBR-UHFFFAOYSA-O
XLogP0.14
TPSA102.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azanium;gadolinium;nitrate?
The IUPAC name of azanium;gadolinium;nitrate (CID 174958053) is azanium;gadolinium;nitrate.
What is the SMILES notation for azanium;gadolinium;nitrate?
The canonical SMILES for azanium;gadolinium;nitrate is O=[N+]([O-])[O-].[Gd].[NH4+].
What is the InChIKey of azanium;gadolinium;nitrate?
The InChIKey is FNPXNUVWANSUBR-UHFFFAOYSA-O. The full InChI is InChI=1S/Gd.NO3.H3N/c;2-1(3)4;/h;;1H3/q;-1;/p+1.
What are the key properties of azanium;gadolinium;nitrate?
azanium;gadolinium;nitrate has a molecular weight of 237.29 g/mol, XLogP of 0.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;gadolinium;nitrate is sourced from PubChem (CID 174958053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).