CID 13239389

C8H10N3Se — CID 13239389

IUPAC—
SMILESCN(N)/C([Se])=N/c1ccccc1
InChIInChI=1S/C8H10N3Se/c1-11(9)8(12)10-7-5-3-2-4-6-7/h2-6H,9H2,1H3/b10-8-
InChIKeyAMRHGHUNTSFHJL-NTMALXAHSA-N
MW227.15 g/mol
LogP0.65
Rot. Bonds1

About CID 13239389

CID 13239389 (PubChem CID 13239389) has the molecular formula C8H10N3Se and a molecular weight of 227.15 g/mol.

Molecular Properties

Compound NameCID 13239389
PubChem CID13239389
Molecular FormulaC8H10N3Se
Molecular Weight227.15 g/mol
Exact Mass228.00
IUPAC Name—
SMILESCN(N)/C([Se])=N/c1ccccc1
InChIInChI=1S/C8H10N3Se/c1-11(9)8(12)10-7-5-3-2-4-6-7/h2-6H,9H2,1H3/b10-8-
InChIKeyAMRHGHUNTSFHJL-NTMALXAHSA-N
XLogP0.65
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.15
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 13239389?
The IUPAC name of CID 13239389 (CID 13239389) is not available.
What is the SMILES notation for CID 13239389?
The canonical SMILES for CID 13239389 is CN(N)/C([Se])=N/c1ccccc1.
What is the InChIKey of CID 13239389?
The InChIKey is AMRHGHUNTSFHJL-NTMALXAHSA-N. The full InChI is InChI=1S/C8H10N3Se/c1-11(9)8(12)10-7-5-3-2-4-6-7/h2-6H,9H2,1H3/b10-8-.
What are the key properties of CID 13239389?
CID 13239389 has a molecular weight of 227.15 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 13239389 is sourced from PubChem (CID 13239389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).