CID 71436062

C13H13N2Se — CID 71436062

IUPAC—
SMILES[H]/[Se]=C(\N)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H13N2Se/c14-13(16)15(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,16H,14H2
InChIKeyUELYYGKHRVCNIC-UHFFFAOYSA-N
MW276.22 g/mol
LogP1.77
Rot. Bonds3

About CID 71436062

CID 71436062 (PubChem CID 71436062) has the molecular formula C13H13N2Se and a molecular weight of 276.22 g/mol.

Molecular Properties

Compound NameCID 71436062
PubChem CID71436062
Molecular FormulaC13H13N2Se
Molecular Weight276.22 g/mol
Exact Mass277.02
IUPAC Name—
SMILES[H]/[Se]=C(\N)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H13N2Se/c14-13(16)15(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,16H,14H2
InChIKeyUELYYGKHRVCNIC-UHFFFAOYSA-N
XLogP1.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 71436062 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 71436062?
The IUPAC name of CID 71436062 (CID 71436062) is not available.
What is the SMILES notation for CID 71436062?
The canonical SMILES for CID 71436062 is [H]/[Se]=C(\N)N(c1ccccc1)c1ccccc1.
What is the InChIKey of CID 71436062?
The InChIKey is UELYYGKHRVCNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N2Se/c14-13(16)15(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,16H,14H2.
What are the key properties of CID 71436062?
CID 71436062 has a molecular weight of 276.22 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71436062 is sourced from PubChem (CID 71436062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).