CID 173018650

H2N2O6Se — CID 173018650

IUPAC—
SMILESO=[N+]([O-])O.O=[N+]([O-])O.[Se]
InChIInChI=1S/2HNO3.Se/c2*2-1(3)4;/h2*(H,2,3,4);
InChIKeyZKSRWJNYYAIHKV-UHFFFAOYSA-N
MW204.98 g/mol
LogP-1.08
Rot. Bonds

About CID 173018650

CID 173018650 (PubChem CID 173018650) has the molecular formula H2N2O6Se and a molecular weight of 204.98 g/mol.

Molecular Properties

Compound NameCID 173018650
PubChem CID173018650
Molecular FormulaH2N2O6Se
Molecular Weight204.98 g/mol
Exact Mass205.91
IUPAC Name—
SMILESO=[N+]([O-])O.O=[N+]([O-])O.[Se]
InChIInChI=1S/2HNO3.Se/c2*2-1(3)4;/h2*(H,2,3,4);
InChIKeyZKSRWJNYYAIHKV-UHFFFAOYSA-N
XLogP-1.08
TPSA126.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.98
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze CID 173018650 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azane;tetrakis(nitric acid)
CID 173388272
azane;decakis(nitric acid)
CID 173055393
cadmium;bis(nitric acid)
CID 72833329
tripentacontapotassium;pentakis(nitric acid)
CID 173441316
azane;(nitric acid)
CID 173431766
CID 173119618
CID 173119618
einsteinium;tris(nitric acid)
CID 131879224
hydrogen peroxide;nitric acid
CID 22590704
lutetium;nitric acid
CID 54604402
CID 173119623
CID 173119623
nitric acid;tellane
CID 173450640
hafnium;tetrakis(nitric acid)
CID 5207132

Frequently Asked Questions

What is the IUPAC name of CID 173018650?
The IUPAC name of CID 173018650 (CID 173018650) is not available.
What is the SMILES notation for CID 173018650?
The canonical SMILES for CID 173018650 is O=[N+]([O-])O.O=[N+]([O-])O.[Se].
What is the InChIKey of CID 173018650?
The InChIKey is ZKSRWJNYYAIHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/2HNO3.Se/c2*2-1(3)4;/h2*(H,2,3,4);.
What are the key properties of CID 173018650?
CID 173018650 has a molecular weight of 204.98 g/mol, XLogP of -1.08, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173018650 is sourced from PubChem (CID 173018650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).