hydroxyazanium chloride

H4ClNO — CID 21645

IUPAChydroxyazanium chloride
SMILES[Cl-].[NH3+]O
InChIInChI=1S/ClH.H4NO/c;1-2/h1H;2H,1H3/q;+1/p-1
InChIKeyWCYJQVALWQMJGE-UHFFFAOYSA-M
MW69.49 g/mol
LogP-4.38
Rot. Bonds

About hydroxyazanium chloride

hydroxyazanium chloride (PubChem CID 21645) has the molecular formula H4ClNO and a molecular weight of 69.49 g/mol. Its IUPAC name is hydroxyazanium chloride.

Molecular Properties

Compound Namehydroxyazanium chloride
PubChem CID21645
Molecular FormulaH4ClNO
Molecular Weight69.49 g/mol
Exact Mass69.00
IUPAC Namehydroxyazanium chloride
SMILES[Cl-].[NH3+]O
InChIInChI=1S/ClH.H4NO/c;1-2/h1H;2H,1H3/q;+1/p-1
InChIKeyWCYJQVALWQMJGE-UHFFFAOYSA-M
XLogP-4.38
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50069.49
LogP ≤ 5-4.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 chloride?
The IUPAC name of hydroxyazanium chloride (CID 21645) is hydroxyazanium chloride.
What is the SMILES notation for hydroxyazanium chloride?
The canonical SMILES for hydroxyazanium chloride is [Cl-].[NH3+]O.
What is the InChIKey of hydroxyazanium chloride?
The InChIKey is WCYJQVALWQMJGE-UHFFFAOYSA-M. The full InChI is InChI=1S/ClH.H4NO/c;1-2/h1H;2H,1H3/q;+1/p-1.
What are the key properties of hydroxyazanium chloride?
hydroxyazanium chloride has a molecular weight of 69.49 g/mol, XLogP of -4.38, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxyazanium chloride is sourced from PubChem (CID 21645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).