neodymium(3+);samarium(3+);hexanitrate;hydrochloride

HClN6NdO18Sm — CID 174987261

IUPACneodymium(3+);samarium(3+);hexanitrate;hydrochloride
SMILESCl.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Nd+3].[Sm+3]
InChIInChI=1S/ClH.6NO3.Nd.Sm/c;6*2-1(3)4;;/h1H;;;;;;;;/q;6*-1;2*+3
InChIKeyDGRVTZLVALRRHN-UHFFFAOYSA-N
MW703.09 g/mol
LogP-1.01
Rot. Bonds

About neodymium(3+);samarium(3+);hexanitrate;hydrochloride

neodymium(3+);samarium(3+);hexanitrate;hydrochloride (PubChem CID 174987261) has the molecular formula HClN6NdO18Sm and a molecular weight of 703.09 g/mol. Its IUPAC name is neodymium(3+);samarium(3+);hexanitrate;hydrochloride.

Molecular Properties

Compound Nameneodymium(3+);samarium(3+);hexanitrate;hydrochloride
PubChem CID174987261
Molecular FormulaHClN6NdO18Sm
Molecular Weight703.09 g/mol
Exact Mass701.73
IUPAC Nameneodymium(3+);samarium(3+);hexanitrate;hydrochloride
SMILESCl.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Nd+3].[Sm+3]
InChIInChI=1S/ClH.6NO3.Nd.Sm/c;6*2-1(3)4;;/h1H;;;;;;;;/q;6*-1;2*+3
InChIKeyDGRVTZLVALRRHN-UHFFFAOYSA-N
XLogP-1.01
TPSA397.20 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.09
LogP ≤ 5-1.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

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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Related Compounds

iron(2+);neodymium(3+);pentanitrate
CID 161062059
alumane;titanium;nitrate;hydrochloride
CID 173363171
bis(osmium(4+));octanitrate
CID 158143113
samarium trinitrate
CID 21321193
gold dinitrate
CID 161234525
zinc dinitrate
CID 24518
technetium(7+) heptanitrate
CID 23031034
niobium(3+) trinitrate
CID 14693735
ruthenium(3+) nitrate
CID 21124620
tetrakis(lanthanum(3+));trinitrate
CID 19804472
platinum pentanitrate
CID 173027999
aluminum trinitrate
CID 26053

Frequently Asked Questions

What is the IUPAC name of neodymium(3+);samarium(3+);hexanitrate;hydrochloride?
The IUPAC name of neodymium(3+);samarium(3+);hexanitrate;hydrochloride (CID 174987261) is neodymium(3+);samarium(3+);hexanitrate;hydrochloride.
What is the SMILES notation for neodymium(3+);samarium(3+);hexanitrate;hydrochloride?
The canonical SMILES for neodymium(3+);samarium(3+);hexanitrate;hydrochloride is Cl.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Nd+3].[Sm+3].
What is the InChIKey of neodymium(3+);samarium(3+);hexanitrate;hydrochloride?
The InChIKey is DGRVTZLVALRRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/ClH.6NO3.Nd.Sm/c;6*2-1(3)4;;/h1H;;;;;;;;/q;6*-1;2*+3.
What are the key properties of neodymium(3+);samarium(3+);hexanitrate;hydrochloride?
neodymium(3+);samarium(3+);hexanitrate;hydrochloride has a molecular weight of 703.09 g/mol, XLogP of -1.01, 0 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for neodymium(3+);samarium(3+);hexanitrate;hydrochloride is sourced from PubChem (CID 174987261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).