CID 20627109

C10H10AuKNO5S2 — CID 20627109

IUPAC—
SMILESCOC(=O)c1cc(NC(C)=O)cc(S(=O)(=O)[S-])c1.[Au+].[K]
InChIInChI=1S/C10H11NO5S2.Au.K/c1-6(12)11-8-3-7(10(13)16-2)4-9(5-8)18(14,15)17;;/h3-5H,1-2H3,(H,11,12)(H,14,15,17);;/q;+1;/p-1
InChIKeyNHVJOHDRJITVAH-UHFFFAOYSA-M
MW524.39 g/mol
LogP0.28
Rot. Bonds3

About CID 20627109

CID 20627109 (PubChem CID 20627109) has the molecular formula C10H10AuKNO5S2 and a molecular weight of 524.39 g/mol.

Molecular Properties

Compound NameCID 20627109
PubChem CID20627109
Molecular FormulaC10H10AuKNO5S2
Molecular Weight524.39 g/mol
Exact Mass523.93
IUPAC Name—
SMILESCOC(=O)c1cc(NC(C)=O)cc(S(=O)(=O)[S-])c1.[Au+].[K]
InChIInChI=1S/C10H11NO5S2.Au.K/c1-6(12)11-8-3-7(10(13)16-2)4-9(5-8)18(14,15)17;;/h3-5H,1-2H3,(H,11,12)(H,14,15,17);;/q;+1;/p-1
InChIKeyNHVJOHDRJITVAH-UHFFFAOYSA-M
XLogP0.28
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.39
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 20627109?
The IUPAC name of CID 20627109 (CID 20627109) is not available.
What is the SMILES notation for CID 20627109?
The canonical SMILES for CID 20627109 is COC(=O)c1cc(NC(C)=O)cc(S(=O)(=O)[S-])c1.[Au+].[K].
What is the InChIKey of CID 20627109?
The InChIKey is NHVJOHDRJITVAH-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H11NO5S2.Au.K/c1-6(12)11-8-3-7(10(13)16-2)4-9(5-8)18(14,15)17;;/h3-5H,1-2H3,(H,11,12)(H,14,15,17);;/q;+1;/p-1.
What are the key properties of CID 20627109?
CID 20627109 has a molecular weight of 524.39 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20627109 is sourced from PubChem (CID 20627109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).