CID 59102100

C6H13AuN2Se — CID 59102100

IUPAC—
SMILESCN1CCN(C[Se])CC1.[Au]
InChIInChI=1S/C6H13N2Se.Au/c1-7-2-4-8(6-9)5-3-7;/h2-6H2,1H3;
InChIKeyVDJOHRQLMJQMEO-UHFFFAOYSA-N
MW389.11 g/mol
LogP-0.64
Rot. Bonds1

About CID 59102100

CID 59102100 (PubChem CID 59102100) has the molecular formula C6H13AuN2Se and a molecular weight of 389.11 g/mol.

Molecular Properties

Compound NameCID 59102100
PubChem CID59102100
Molecular FormulaC6H13AuN2Se
Molecular Weight389.11 g/mol
Exact Mass389.99
IUPAC Name—
SMILESCN1CCN(C[Se])CC1.[Au]
InChIInChI=1S/C6H13N2Se.Au/c1-7-2-4-8(6-9)5-3-7;/h2-6H2,1H3;
InChIKeyVDJOHRQLMJQMEO-UHFFFAOYSA-N
XLogP-0.64
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.11
LogP ≤ 5-0.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 59102100?
The IUPAC name of CID 59102100 (CID 59102100) is not available.
What is the SMILES notation for CID 59102100?
The canonical SMILES for CID 59102100 is CN1CCN(C[Se])CC1.[Au].
What is the InChIKey of CID 59102100?
The InChIKey is VDJOHRQLMJQMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N2Se.Au/c1-7-2-4-8(6-9)5-3-7;/h2-6H2,1H3;.
What are the key properties of CID 59102100?
CID 59102100 has a molecular weight of 389.11 g/mol, XLogP of -0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59102100 is sourced from PubChem (CID 59102100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).