CID 102459508

C16H22N2Se2Sn — CID 102459508

IUPAC—
SMILESCc1cccnc1[Se-].Cc1cccnc1[Se-].[CH2]C.[CH2]C.[Sn+2]
InChIInChI=1S/2C6H7NSe.2C2H5.Sn/c2*1-5-3-2-4-7-6(5)8;2*1-2;/h2*2-4H,1H3,(H,7,8);2*1H2,2H3;/q;;;;+2/p-2
InChIKeyBVOPRAGSTORSRC-UHFFFAOYSA-L
MW519.00 g/mol
LogP1.67
Rot. Bonds

About CID 102459508

CID 102459508 (PubChem CID 102459508) has the molecular formula C16H22N2Se2Sn and a molecular weight of 519.00 g/mol.

Molecular Properties

Compound NameCID 102459508
PubChem CID102459508
Molecular FormulaC16H22N2Se2Sn
Molecular Weight519.00 g/mol
Exact Mass521.91
IUPAC Name—
SMILESCc1cccnc1[Se-].Cc1cccnc1[Se-].[CH2]C.[CH2]C.[Sn+2]
InChIInChI=1S/2C6H7NSe.2C2H5.Sn/c2*1-5-3-2-4-7-6(5)8;2*1-2;/h2*2-4H,1H3,(H,7,8);2*1H2,2H3;/q;;;;+2/p-2
InChIKeyBVOPRAGSTORSRC-UHFFFAOYSA-L
XLogP1.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.00
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 102459508?
The IUPAC name of CID 102459508 (CID 102459508) is not available.
What is the SMILES notation for CID 102459508?
The canonical SMILES for CID 102459508 is Cc1cccnc1[Se-].Cc1cccnc1[Se-].[CH2]C.[CH2]C.[Sn+2].
What is the InChIKey of CID 102459508?
The InChIKey is BVOPRAGSTORSRC-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H7NSe.2C2H5.Sn/c2*1-5-3-2-4-7-6(5)8;2*1-2;/h2*2-4H,1H3,(H,7,8);2*1H2,2H3;/q;;;;+2/p-2.
What are the key properties of CID 102459508?
CID 102459508 has a molecular weight of 519.00 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102459508 is sourced from PubChem (CID 102459508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).