CID 174443456

H3NOTl — CID 174443456

IUPAC—
SMILESNO.[Tl]
InChIInChI=1S/H3NO.Tl/c1-2;/h2H,1H2;
InChIKeyWERZZEXYUXFGDZ-UHFFFAOYSA-N
MW237.41 g/mol
LogP-1.05
Rot. Bonds

About CID 174443456

CID 174443456 (PubChem CID 174443456) has the molecular formula H3NOTl and a molecular weight of 237.41 g/mol.

Molecular Properties

Compound NameCID 174443456
PubChem CID174443456
Molecular FormulaH3NOTl
Molecular Weight237.41 g/mol
Exact Mass238.00
IUPAC Name—
SMILESNO.[Tl]
InChIInChI=1S/H3NO.Tl/c1-2;/h2H,1H2;
InChIKeyWERZZEXYUXFGDZ-UHFFFAOYSA-N
XLogP-1.05
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 5-1.05
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 CID 174443456?
The IUPAC name of CID 174443456 (CID 174443456) is not available.
What is the SMILES notation for CID 174443456?
The canonical SMILES for CID 174443456 is NO.[Tl].
What is the InChIKey of CID 174443456?
The InChIKey is WERZZEXYUXFGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/H3NO.Tl/c1-2;/h2H,1H2;.
What are the key properties of CID 174443456?
CID 174443456 has a molecular weight of 237.41 g/mol, XLogP of -1.05, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174443456 is sourced from PubChem (CID 174443456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).