CID 22621363

C10H7N2O2Se — CID 22621363

IUPAC—
SMILESO=c1[nH]c(=O)n([Se])cc1-c1ccccc1
InChIInChI=1S/C10H7N2O2Se/c13-9-8(6-12(15)10(14)11-9)7-4-2-1-3-5-7/h1-6H,(H,11,13,14)
InChIKeyDZXLNJSTDHKQBJ-UHFFFAOYSA-N
MW266.14 g/mol
LogP0.14
Rot. Bonds1

About CID 22621363

CID 22621363 (PubChem CID 22621363) has the molecular formula C10H7N2O2Se and a molecular weight of 266.14 g/mol.

Molecular Properties

Compound NameCID 22621363
PubChem CID22621363
Molecular FormulaC10H7N2O2Se
Molecular Weight266.14 g/mol
Exact Mass266.97
IUPAC Name—
SMILESO=c1[nH]c(=O)n([Se])cc1-c1ccccc1
InChIInChI=1S/C10H7N2O2Se/c13-9-8(6-12(15)10(14)11-9)7-4-2-1-3-5-7/h1-6H,(H,11,13,14)
InChIKeyDZXLNJSTDHKQBJ-UHFFFAOYSA-N
XLogP0.14
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 22621363?
The IUPAC name of CID 22621363 (CID 22621363) is not available.
What is the SMILES notation for CID 22621363?
The canonical SMILES for CID 22621363 is O=c1[nH]c(=O)n([Se])cc1-c1ccccc1.
What is the InChIKey of CID 22621363?
The InChIKey is DZXLNJSTDHKQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N2O2Se/c13-9-8(6-12(15)10(14)11-9)7-4-2-1-3-5-7/h1-6H,(H,11,13,14).
What are the key properties of CID 22621363?
CID 22621363 has a molecular weight of 266.14 g/mol, XLogP of 0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22621363 is sourced from PubChem (CID 22621363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).