CID 136814237

C7H5Se2 — CID 136814237

IUPAC—
SMILES[Se]C(=[Se])c1ccccc1
InChIInChI=1S/C7H5Se2/c8-7(9)6-4-2-1-3-5-6/h1-5H
InChIKeyGLDFJGVNVMNQES-UHFFFAOYSA-N
MW247.04 g/mol
LogP0.50
Rot. Bonds1

About CID 136814237

CID 136814237 (PubChem CID 136814237) has the molecular formula C7H5Se2 and a molecular weight of 247.04 g/mol.

Molecular Properties

Compound NameCID 136814237
PubChem CID136814237
Molecular FormulaC7H5Se2
Molecular Weight247.04 g/mol
Exact Mass248.87
IUPAC Name—
SMILES[Se]C(=[Se])c1ccccc1
InChIInChI=1S/C7H5Se2/c8-7(9)6-4-2-1-3-5-6/h1-5H
InChIKeyGLDFJGVNVMNQES-UHFFFAOYSA-N
XLogP0.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.04
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 136814237?
The IUPAC name of CID 136814237 (CID 136814237) is not available.
What is the SMILES notation for CID 136814237?
The canonical SMILES for CID 136814237 is [Se]C(=[Se])c1ccccc1.
What is the InChIKey of CID 136814237?
The InChIKey is GLDFJGVNVMNQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Se2/c8-7(9)6-4-2-1-3-5-6/h1-5H.
What are the key properties of CID 136814237?
CID 136814237 has a molecular weight of 247.04 g/mol, XLogP of 0.50, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136814237 is sourced from PubChem (CID 136814237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).