CID 169051719

C8H4O4Se2 — CID 169051719

IUPAC—
SMILESO=C(O)c1cc([Se])c(C(=O)O)cc1[Se]
InChIInChI=1S/C8H4O4Se2/c9-7(10)3-1-5(13)4(8(11)12)2-6(3)14/h1-2H,(H,9,10)(H,11,12)
InChIKeyQKGCFXMELVSCLM-UHFFFAOYSA-N
MW322.04 g/mol
LogP-1.33
Rot. Bonds2

About CID 169051719

CID 169051719 (PubChem CID 169051719) has the molecular formula C8H4O4Se2 and a molecular weight of 322.04 g/mol.

Molecular Properties

Compound NameCID 169051719
PubChem CID169051719
Molecular FormulaC8H4O4Se2
Molecular Weight322.04 g/mol
Exact Mass323.84
IUPAC Name—
SMILESO=C(O)c1cc([Se])c(C(=O)O)cc1[Se]
InChIInChI=1S/C8H4O4Se2/c9-7(10)3-1-5(13)4(8(11)12)2-6(3)14/h1-2H,(H,9,10)(H,11,12)
InChIKeyQKGCFXMELVSCLM-UHFFFAOYSA-N
XLogP-1.33
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.04
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
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 CID 169051719?
The IUPAC name of CID 169051719 (CID 169051719) is not available.
What is the SMILES notation for CID 169051719?
The canonical SMILES for CID 169051719 is O=C(O)c1cc([Se])c(C(=O)O)cc1[Se].
What is the InChIKey of CID 169051719?
The InChIKey is QKGCFXMELVSCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4O4Se2/c9-7(10)3-1-5(13)4(8(11)12)2-6(3)14/h1-2H,(H,9,10)(H,11,12).
What are the key properties of CID 169051719?
CID 169051719 has a molecular weight of 322.04 g/mol, XLogP of -1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 169051719 is sourced from PubChem (CID 169051719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).