thorium(2+);nitrate;dodecahydrate

H24NO15Th+ — CID 18183560

IUPACthorium(2+);nitrate;dodecahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O.O.O=[N+]([O-])[O-].[Th+2]
InChIInChI=1S/NO3.12H2O.Th/c2-1(3)4;;;;;;;;;;;;;/h;12*1H2;/q-1;;;;;;;;;;;;;+2
InChIKeyOCLHHXNMCMWJBH-UHFFFAOYSA-N
MW510.22 g/mol
LogP-10.14
Rot. Bonds

About thorium(2+);nitrate;dodecahydrate

thorium(2+);nitrate;dodecahydrate (PubChem CID 18183560) has the molecular formula H24NO15Th+ and a molecular weight of 510.22 g/mol. Its IUPAC name is thorium(2+);nitrate;dodecahydrate.

Molecular Properties

Compound Namethorium(2+);nitrate;dodecahydrate
PubChem CID18183560
Molecular FormulaH24NO15Th+
Molecular Weight510.22 g/mol
Exact Mass510.15
IUPAC Namethorium(2+);nitrate;dodecahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O.O.O=[N+]([O-])[O-].[Th+2]
InChIInChI=1S/NO3.12H2O.Th/c2-1(3)4;;;;;;;;;;;;;/h;12*1H2;/q-1;;;;;;;;;;;;;+2
InChIKeyOCLHHXNMCMWJBH-UHFFFAOYSA-N
XLogP-10.14
TPSA444.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.22
LogP ≤ 5-10.14
H-Bond Donors ≤ 50
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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Related Compounds

platinum(2+);dinitrate;hydrate
CID 172723097
beryllium;nitrate;tetrahydrate
CID 19806872
bis(yttrium(3+));hexanitrate;heptahydrate
CID 139054016
ytterbium;nitrate;tetrahydrate
CID 18185938
holmium;nitrate;trihydrate
CID 173334305
cobalt;nitrate;tetrahydrate
CID 173115320
rhodium(3+);trinitrate;hexahydrate
CID 159957090
dibismuth;hexanitrate;pentahydrate
CID 158893805
calcium;nitrate;hexahydrate
CID 22138076
dicalcium;tetranitrate;tetrahydrate
CID 157337195
sodium;nitrate;tetrahydrate
CID 162201136
erbium(3+);trinitrate;tetrahydrate
CID 172858515

Frequently Asked Questions

What is the IUPAC name of thorium(2+);nitrate;dodecahydrate?
The IUPAC name of thorium(2+);nitrate;dodecahydrate (CID 18183560) is thorium(2+);nitrate;dodecahydrate.
What is the SMILES notation for thorium(2+);nitrate;dodecahydrate?
The canonical SMILES for thorium(2+);nitrate;dodecahydrate is O.O.O.O.O.O.O.O.O.O.O.O.O=[N+]([O-])[O-].[Th+2].
What is the InChIKey of thorium(2+);nitrate;dodecahydrate?
The InChIKey is OCLHHXNMCMWJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/NO3.12H2O.Th/c2-1(3)4;;;;;;;;;;;;;/h;12*1H2;/q-1;;;;;;;;;;;;;+2.
What are the key properties of thorium(2+);nitrate;dodecahydrate?
thorium(2+);nitrate;dodecahydrate has a molecular weight of 510.22 g/mol, XLogP of -10.14, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thorium(2+);nitrate;dodecahydrate is sourced from PubChem (CID 18183560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).