CID 87228309

CHNOSe — CID 87228309

IUPAC—
SMILESN=C=O.[Se]
InChIInChI=1S/CHNO.Se/c2-1-3;/h2H;
InChIKeyNCTMFBKTZIZHEM-UHFFFAOYSA-N
MW121.98 g/mol
LogP-0.48
Rot. Bonds

About CID 87228309

CID 87228309 (PubChem CID 87228309) has the molecular formula CHNOSe and a molecular weight of 121.98 g/mol.

Molecular Properties

Compound NameCID 87228309
PubChem CID87228309
Molecular FormulaCHNOSe
Molecular Weight121.98 g/mol
Exact Mass122.92
IUPAC Name—
SMILESN=C=O.[Se]
InChIInChI=1S/CHNO.Se/c2-1-3;/h2H;
InChIKeyNCTMFBKTZIZHEM-UHFFFAOYSA-N
XLogP-0.48
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.98
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 87228309?
The IUPAC name of CID 87228309 (CID 87228309) is not available.
What is the SMILES notation for CID 87228309?
The canonical SMILES for CID 87228309 is N=C=O.[Se].
What is the InChIKey of CID 87228309?
The InChIKey is NCTMFBKTZIZHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/CHNO.Se/c2-1-3;/h2H;.
What are the key properties of CID 87228309?
CID 87228309 has a molecular weight of 121.98 g/mol, XLogP of -0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87228309 is sourced from PubChem (CID 87228309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).