CID 59101990

C7H7AuO2Se — CID 59101990

IUPAC—
SMILESO=C1CCCC(=O)C1=C[Se].[Au]
InChIInChI=1S/C7H7O2Se.Au/c8-6-2-1-3-7(9)5(6)4-10;/h4H,1-3H2;
InChIKeyQCLRDHAIQBYBIB-UHFFFAOYSA-N
MW399.06 g/mol
LogP0.36
Rot. Bonds

About CID 59101990

CID 59101990 (PubChem CID 59101990) has the molecular formula C7H7AuO2Se and a molecular weight of 399.06 g/mol.

Molecular Properties

Compound NameCID 59101990
PubChem CID59101990
Molecular FormulaC7H7AuO2Se
Molecular Weight399.06 g/mol
Exact Mass399.93
IUPAC Name—
SMILESO=C1CCCC(=O)C1=C[Se].[Au]
InChIInChI=1S/C7H7O2Se.Au/c8-6-2-1-3-7(9)5(6)4-10;/h4H,1-3H2;
InChIKeyQCLRDHAIQBYBIB-UHFFFAOYSA-N
XLogP0.36
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.06
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59101990?
The IUPAC name of CID 59101990 (CID 59101990) is not available.
What is the SMILES notation for CID 59101990?
The canonical SMILES for CID 59101990 is O=C1CCCC(=O)C1=C[Se].[Au].
What is the InChIKey of CID 59101990?
The InChIKey is QCLRDHAIQBYBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7O2Se.Au/c8-6-2-1-3-7(9)5(6)4-10;/h4H,1-3H2;.
What are the key properties of CID 59101990?
CID 59101990 has a molecular weight of 399.06 g/mol, XLogP of 0.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59101990 is sourced from PubChem (CID 59101990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).