CID 59102207

C6H12AuNSe — CID 59102207

IUPAC—
SMILESCN1CCCCC1[Se].[Au]
InChIInChI=1S/C6H12NSe.Au/c1-7-5-3-2-4-6(7)8;/h6H,2-5H2,1H3;
InChIKeyBWMUNESAICRDDM-UHFFFAOYSA-N
MW374.10 g/mol
LogP0.59
Rot. Bonds

About CID 59102207

CID 59102207 (PubChem CID 59102207) has the molecular formula C6H12AuNSe and a molecular weight of 374.10 g/mol.

Molecular Properties

Compound NameCID 59102207
PubChem CID59102207
Molecular FormulaC6H12AuNSe
Molecular Weight374.10 g/mol
Exact Mass374.98
IUPAC Name—
SMILESCN1CCCCC1[Se].[Au]
InChIInChI=1S/C6H12NSe.Au/c1-7-5-3-2-4-6(7)8;/h6H,2-5H2,1H3;
InChIKeyBWMUNESAICRDDM-UHFFFAOYSA-N
XLogP0.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.10
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 59102207?
The IUPAC name of CID 59102207 (CID 59102207) is not available.
What is the SMILES notation for CID 59102207?
The canonical SMILES for CID 59102207 is CN1CCCCC1[Se].[Au].
What is the InChIKey of CID 59102207?
The InChIKey is BWMUNESAICRDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NSe.Au/c1-7-5-3-2-4-6(7)8;/h6H,2-5H2,1H3;.
What are the key properties of CID 59102207?
CID 59102207 has a molecular weight of 374.10 g/mol, XLogP of 0.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59102207 is sourced from PubChem (CID 59102207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).