hydroxyazanium perchlorate

H4ClNO5 — CID 22218754

IUPAChydroxyazanium perchlorate
SMILES[NH3+]O.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/ClHO4.H4NO/c2-1(3,4)5;1-2/h(H,2,3,4,5);2H,1H3/q;+1/p-1
InChIKeyRPRUGAJYFRREQE-UHFFFAOYSA-M
MW133.49 g/mol
LogP-6.14
Rot. Bonds

About hydroxyazanium perchlorate

hydroxyazanium perchlorate (PubChem CID 22218754) has the molecular formula H4ClNO5 and a molecular weight of 133.49 g/mol. Its IUPAC name is hydroxyazanium perchlorate.

Molecular Properties

Compound Namehydroxyazanium perchlorate
PubChem CID22218754
Molecular FormulaH4ClNO5
Molecular Weight133.49 g/mol
Exact Mass132.98
IUPAC Namehydroxyazanium perchlorate
SMILES[NH3+]O.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/ClHO4.H4NO/c2-1(3,4)5;1-2/h(H,2,3,4,5);2H,1H3/q;+1/p-1
InChIKeyRPRUGAJYFRREQE-UHFFFAOYSA-M
XLogP-6.14
TPSA140.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.49
LogP ≤ 5-6.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 hydroxyazanium perchlorate?
The IUPAC name of hydroxyazanium perchlorate (CID 22218754) is hydroxyazanium perchlorate.
What is the SMILES notation for hydroxyazanium perchlorate?
The canonical SMILES for hydroxyazanium perchlorate is [NH3+]O.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of hydroxyazanium perchlorate?
The InChIKey is RPRUGAJYFRREQE-UHFFFAOYSA-M. The full InChI is InChI=1S/ClHO4.H4NO/c2-1(3,4)5;1-2/h(H,2,3,4,5);2H,1H3/q;+1/p-1.
What are the key properties of hydroxyazanium perchlorate?
hydroxyazanium perchlorate has a molecular weight of 133.49 g/mol, XLogP of -6.14, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxyazanium perchlorate is sourced from PubChem (CID 22218754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).