[2,1,3]benzoselenadiazolo[7,6-g][2,1,3]benzoxadiazole

C10H4N4OSe — CID 155902971

IUPAC[2,1,3]benzoselenadiazolo[7,6-g][2,1,3]benzoxadiazole
SMILESc1cc2c(ccc3n[se]nc32)c2nonc12
InChIInChI=1S/C10H4N4OSe/c1-3-7-9(12-15-11-7)5-2-4-8-10(6(1)5)14-16-13-8/h1-4H
InChIKeyAGKFXMBVAGGBFF-UHFFFAOYSA-N
MW275.13 g/mol
LogP1.38
Rot. Bonds

About [2,1,3]benzoselenadiazolo[7,6-g][2,1,3]benzoxadiazole

[2,1,3]benzoselenadiazolo[7,6-g][2,1,3]benzoxadiazole (PubChem CID 155902971) has the molecular formula C10H4N4OSe and a molecular weight of 275.13 g/mol. Its IUPAC name is [2,1,3]benzoselenadiazolo[7,6-g][2,1,3]benzoxadiazole.

Molecular Properties

Compound Name[2,1,3]benzoselenadiazolo[7,6-g][2,1,3]benzoxadiazole
PubChem CID155902971
Molecular FormulaC10H4N4OSe
Molecular Weight275.13 g/mol
Exact Mass275.96
IUPAC Name[2,1,3]benzoselenadiazolo[7,6-g][2,1,3]benzoxadiazole
SMILESc1cc2c(ccc3n[se]nc32)c2nonc12
InChIInChI=1S/C10H4N4OSe/c1-3-7-9(12-15-11-7)5-2-4-8-10(6(1)5)14-16-13-8/h1-4H
InChIKeyAGKFXMBVAGGBFF-UHFFFAOYSA-N
XLogP1.38
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 [2,1,3]benzoselenadiazolo[7,6-g][2,1,3]benzoxadiazole?
The IUPAC name of [2,1,3]benzoselenadiazolo[7,6-g][2,1,3]benzoxadiazole (CID 155902971) is [2,1,3]benzoselenadiazolo[7,6-g][2,1,3]benzoxadiazole.
What is the SMILES notation for [2,1,3]benzoselenadiazolo[7,6-g][2,1,3]benzoxadiazole?
The canonical SMILES for [2,1,3]benzoselenadiazolo[7,6-g][2,1,3]benzoxadiazole is c1cc2c(ccc3n[se]nc32)c2nonc12.
What is the InChIKey of [2,1,3]benzoselenadiazolo[7,6-g][2,1,3]benzoxadiazole?
The InChIKey is AGKFXMBVAGGBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4N4OSe/c1-3-7-9(12-15-11-7)5-2-4-8-10(6(1)5)14-16-13-8/h1-4H.
What are the key properties of [2,1,3]benzoselenadiazolo[7,6-g][2,1,3]benzoxadiazole?
[2,1,3]benzoselenadiazolo[7,6-g][2,1,3]benzoxadiazole has a molecular weight of 275.13 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,1,3]benzoselenadiazolo[7,6-g][2,1,3]benzoxadiazole is sourced from PubChem (CID 155902971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).