CID 175273158

C18H14N2Se — CID 175273158

IUPAC—
SMILES[Se].c1ccc2ncccc2c1.c1ccc2ncccc2c1
InChIInChI=1S/2C9H7N.Se/c2*1-2-6-9-8(4-1)5-3-7-10-9;/h2*1-7H;
InChIKeyVEOYICVMYDOTCX-UHFFFAOYSA-N
MW337.28 g/mol
LogP4.09
Rot. Bonds

About CID 175273158

CID 175273158 (PubChem CID 175273158) has the molecular formula C18H14N2Se and a molecular weight of 337.28 g/mol.

Molecular Properties

Compound NameCID 175273158
PubChem CID175273158
Molecular FormulaC18H14N2Se
Molecular Weight337.28 g/mol
Exact Mass338.03
IUPAC Name—
SMILES[Se].c1ccc2ncccc2c1.c1ccc2ncccc2c1
InChIInChI=1S/2C9H7N.Se/c2*1-2-6-9-8(4-1)5-3-7-10-9;/h2*1-7H;
InChIKeyVEOYICVMYDOTCX-UHFFFAOYSA-N
XLogP4.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.28
LogP ≤ 54.09
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 175273158?
The IUPAC name of CID 175273158 (CID 175273158) is not available.
What is the SMILES notation for CID 175273158?
The canonical SMILES for CID 175273158 is [Se].c1ccc2ncccc2c1.c1ccc2ncccc2c1.
What is the InChIKey of CID 175273158?
The InChIKey is VEOYICVMYDOTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H7N.Se/c2*1-2-6-9-8(4-1)5-3-7-10-9;/h2*1-7H;.
What are the key properties of CID 175273158?
CID 175273158 has a molecular weight of 337.28 g/mol, XLogP of 4.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175273158 is sourced from PubChem (CID 175273158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).