phenylselanyl benzeneseleninate

C12H10O2Se2 — CID 131859486

IUPACphenylselanyl benzeneseleninate
SMILESO=[Se](O[Se]c1ccccc1)c1ccccc1
InChIInChI=1S/C12H10O2Se2/c13-16(12-9-5-2-6-10-12)14-15-11-7-3-1-4-8-11/h1-10H
InChIKeyWWMPYTZAXMKFIJ-UHFFFAOYSA-N
MW344.13 g/mol
LogP0.77
Rot. Bonds4

About phenylselanyl benzeneseleninate

phenylselanyl benzeneseleninate (PubChem CID 131859486) has the molecular formula C12H10O2Se2 and a molecular weight of 344.13 g/mol. Its IUPAC name is phenylselanyl benzeneseleninate.

Molecular Properties

Compound Namephenylselanyl benzeneseleninate
PubChem CID131859486
Molecular FormulaC12H10O2Se2
Molecular Weight344.13 g/mol
Exact Mass345.90
IUPAC Namephenylselanyl benzeneseleninate
SMILESO=[Se](O[Se]c1ccccc1)c1ccccc1
InChIInChI=1S/C12H10O2Se2/c13-16(12-9-5-2-6-10-12)14-15-11-7-3-1-4-8-11/h1-10H
InChIKeyWWMPYTZAXMKFIJ-UHFFFAOYSA-N
XLogP0.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.13
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 phenylselanyl benzeneseleninate?
The IUPAC name of phenylselanyl benzeneseleninate (CID 131859486) is phenylselanyl benzeneseleninate.
What is the SMILES notation for phenylselanyl benzeneseleninate?
The canonical SMILES for phenylselanyl benzeneseleninate is O=[Se](O[Se]c1ccccc1)c1ccccc1.
What is the InChIKey of phenylselanyl benzeneseleninate?
The InChIKey is WWMPYTZAXMKFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2Se2/c13-16(12-9-5-2-6-10-12)14-15-11-7-3-1-4-8-11/h1-10H.
What are the key properties of phenylselanyl benzeneseleninate?
phenylselanyl benzeneseleninate has a molecular weight of 344.13 g/mol, XLogP of 0.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenylselanyl benzeneseleninate is sourced from PubChem (CID 131859486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).