CID 173441819

HClNO5+ — CID 173441819

IUPAC—
SMILESO=[N+](O)O[Cl+2]([O-])[O-]
InChIInChI=1S/ClHNO5/c3-1(4)7-2(5)6/h(H,5,6)/q+1
InChIKeyJGAJKLIKDBGYHZ-UHFFFAOYSA-N
MW130.46 g/mol
LogP-2.83
Rot. Bonds2

About CID 173441819

CID 173441819 (PubChem CID 173441819) has the molecular formula HClNO5+ and a molecular weight of 130.46 g/mol.

Molecular Properties

Compound NameCID 173441819
PubChem CID173441819
Molecular FormulaHClNO5+
Molecular Weight130.46 g/mol
Exact Mass129.95
IUPAC Name—
SMILESO=[N+](O)O[Cl+2]([O-])[O-]
InChIInChI=1S/ClHNO5/c3-1(4)7-2(5)6/h(H,5,6)/q+1
InChIKeyJGAJKLIKDBGYHZ-UHFFFAOYSA-N
XLogP-2.83
TPSA95.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.46
LogP ≤ 5-2.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 173441819?
The IUPAC name of CID 173441819 (CID 173441819) is not available.
What is the SMILES notation for CID 173441819?
The canonical SMILES for CID 173441819 is O=[N+](O)O[Cl+2]([O-])[O-].
What is the InChIKey of CID 173441819?
The InChIKey is JGAJKLIKDBGYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/ClHNO5/c3-1(4)7-2(5)6/h(H,5,6)/q+1.
What are the key properties of CID 173441819?
CID 173441819 has a molecular weight of 130.46 g/mol, XLogP of -2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173441819 is sourced from PubChem (CID 173441819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).