10H-phenoselenazine

C12H9NSe — CID 3083559

IUPAC10H-phenoselenazine
SMILESc1ccc2c(c1)Nc1ccccc1[Se]2
InChIInChI=1S/C12H9NSe/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H
InChIKeyILFYOWGJBKEMSK-UHFFFAOYSA-N
MW246.17 g/mol
LogP1.40
Rot. Bonds

About 10H-phenoselenazine

10H-phenoselenazine (PubChem CID 3083559) has the molecular formula C12H9NSe and a molecular weight of 246.17 g/mol. Its IUPAC name is 10H-phenoselenazine.

Molecular Properties

Compound Name10H-phenoselenazine
PubChem CID3083559
Molecular FormulaC12H9NSe
Molecular Weight246.17 g/mol
Exact Mass246.99
IUPAC Name10H-phenoselenazine
SMILESc1ccc2c(c1)Nc1ccccc1[Se]2
InChIInChI=1S/C12H9NSe/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H
InChIKeyILFYOWGJBKEMSK-UHFFFAOYSA-N
XLogP1.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.17
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 10H-phenoselenazine?
The IUPAC name of 10H-phenoselenazine (CID 3083559) is 10H-phenoselenazine.
What is the SMILES notation for 10H-phenoselenazine?
The canonical SMILES for 10H-phenoselenazine is c1ccc2c(c1)Nc1ccccc1[Se]2.
What is the InChIKey of 10H-phenoselenazine?
The InChIKey is ILFYOWGJBKEMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NSe/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H.
What are the key properties of 10H-phenoselenazine?
10H-phenoselenazine has a molecular weight of 246.17 g/mol, XLogP of 1.40, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10H-phenoselenazine is sourced from PubChem (CID 3083559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).