gold;naphthalene-1,4-dione

C10H6AuO2 — CID 159229238

IUPACgold;naphthalene-1,4-dione
SMILESO=C1C=CC(=O)c2ccccc21.[Au]
InChIInChI=1S/C10H6O2.Au/c11-9-5-6-10(12)8-4-2-1-3-7(8)9;/h1-6H;
InChIKeyKSRJSNMBKTYJOQ-UHFFFAOYSA-N
MW355.12 g/mol
LogP1.62
Rot. Bonds

About gold;naphthalene-1,4-dione

gold;naphthalene-1,4-dione (PubChem CID 159229238) has the molecular formula C10H6AuO2 and a molecular weight of 355.12 g/mol. Its IUPAC name is gold;naphthalene-1,4-dione.

Molecular Properties

Compound Namegold;naphthalene-1,4-dione
PubChem CID159229238
Molecular FormulaC10H6AuO2
Molecular Weight355.12 g/mol
Exact Mass355.00
IUPAC Namegold;naphthalene-1,4-dione
SMILESO=C1C=CC(=O)c2ccccc21.[Au]
InChIInChI=1S/C10H6O2.Au/c11-9-5-6-10(12)8-4-2-1-3-7(8)9;/h1-6H;
InChIKeyKSRJSNMBKTYJOQ-UHFFFAOYSA-N
XLogP1.62
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.12
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of gold;naphthalene-1,4-dione?
The IUPAC name of gold;naphthalene-1,4-dione (CID 159229238) is gold;naphthalene-1,4-dione.
What is the SMILES notation for gold;naphthalene-1,4-dione?
The canonical SMILES for gold;naphthalene-1,4-dione is O=C1C=CC(=O)c2ccccc21.[Au].
What is the InChIKey of gold;naphthalene-1,4-dione?
The InChIKey is KSRJSNMBKTYJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O2.Au/c11-9-5-6-10(12)8-4-2-1-3-7(8)9;/h1-6H;.
What are the key properties of gold;naphthalene-1,4-dione?
gold;naphthalene-1,4-dione has a molecular weight of 355.12 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for gold;naphthalene-1,4-dione is sourced from PubChem (CID 159229238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).