CID 162726025

C7H5N2Se — CID 162726025

IUPAC—
SMILES[Se]c1ccc2nc[nH]c2c1
InChIInChI=1S/C7H5N2Se/c10-5-1-2-6-7(3-5)9-4-8-6/h1-4H,(H,8,9)
InChIKeyFABHQZYZXXOUCY-UHFFFAOYSA-N
MW196.09 g/mol
LogP0.36
Rot. Bonds

About CID 162726025

CID 162726025 (PubChem CID 162726025) has the molecular formula C7H5N2Se and a molecular weight of 196.09 g/mol.

Molecular Properties

Compound NameCID 162726025
PubChem CID162726025
Molecular FormulaC7H5N2Se
Molecular Weight196.09 g/mol
Exact Mass196.96
IUPAC Name—
SMILES[Se]c1ccc2nc[nH]c2c1
InChIInChI=1S/C7H5N2Se/c10-5-1-2-6-7(3-5)9-4-8-6/h1-4H,(H,8,9)
InChIKeyFABHQZYZXXOUCY-UHFFFAOYSA-N
XLogP0.36
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.09
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 162726025?
The IUPAC name of CID 162726025 (CID 162726025) is not available.
What is the SMILES notation for CID 162726025?
The canonical SMILES for CID 162726025 is [Se]c1ccc2nc[nH]c2c1.
What is the InChIKey of CID 162726025?
The InChIKey is FABHQZYZXXOUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N2Se/c10-5-1-2-6-7(3-5)9-4-8-6/h1-4H,(H,8,9).
What are the key properties of CID 162726025?
CID 162726025 has a molecular weight of 196.09 g/mol, XLogP of 0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162726025 is sourced from PubChem (CID 162726025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).