chloranium hydroxylamine

H5ClNO+ — CID 172795529

IUPACchloranium hydroxylamine
SMILESNO.[ClH2+]
InChIInChI=1S/ClH2.H3NO/c;1-2/h1H2;2H,1H2/q+1;
InChIKeyXZFQONFDXFKDBY-UHFFFAOYSA-N
MW70.50 g/mol
LogP-1.20
Rot. Bonds

About chloranium hydroxylamine

chloranium hydroxylamine (PubChem CID 172795529) has the molecular formula H5ClNO+ and a molecular weight of 70.50 g/mol. Its IUPAC name is chloranium hydroxylamine.

Molecular Properties

Compound Namechloranium hydroxylamine
PubChem CID172795529
Molecular FormulaH5ClNO+
Molecular Weight70.50 g/mol
Exact Mass70.01
IUPAC Namechloranium hydroxylamine
SMILESNO.[ClH2+]
InChIInChI=1S/ClH2.H3NO/c;1-2/h1H2;2H,1H2/q+1;
InChIKeyXZFQONFDXFKDBY-UHFFFAOYSA-N
XLogP-1.20
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50070.50
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 chloranium hydroxylamine?
The IUPAC name of chloranium hydroxylamine (CID 172795529) is chloranium hydroxylamine.
What is the SMILES notation for chloranium hydroxylamine?
The canonical SMILES for chloranium hydroxylamine is NO.[ClH2+].
What is the InChIKey of chloranium hydroxylamine?
The InChIKey is XZFQONFDXFKDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/ClH2.H3NO/c;1-2/h1H2;2H,1H2/q+1;.
What are the key properties of chloranium hydroxylamine?
chloranium hydroxylamine has a molecular weight of 70.50 g/mol, XLogP of -1.20, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloranium hydroxylamine is sourced from PubChem (CID 172795529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).