naphtho[2,3-g][2,1,3]benzoselenadiazole-6,11-dione

C14H6N2O2Se — CID 3314021

IUPACnaphtho[2,3-g][2,1,3]benzoselenadiazole-6,11-dione
SMILESO=C1c2ccccc2C(=O)c2c1ccc1n[se]nc21
InChIInChI=1S/C14H6N2O2Se/c17-13-7-3-1-2-4-8(7)14(18)11-9(13)5-6-10-12(11)16-19-15-10/h1-6H
InChIKeyGECUUSZVAWIRDD-UHFFFAOYSA-N
MW313.17 g/mol
LogP1.46
Rot. Bonds

About naphtho[2,3-g][2,1,3]benzoselenadiazole-6,11-dione

naphtho[2,3-g][2,1,3]benzoselenadiazole-6,11-dione (PubChem CID 3314021) has the molecular formula C14H6N2O2Se and a molecular weight of 313.17 g/mol. Its IUPAC name is naphtho[2,3-g][2,1,3]benzoselenadiazole-6,11-dione.

Molecular Properties

Compound Namenaphtho[2,3-g][2,1,3]benzoselenadiazole-6,11-dione
PubChem CID3314021
Molecular FormulaC14H6N2O2Se
Molecular Weight313.17 g/mol
Exact Mass313.96
IUPAC Namenaphtho[2,3-g][2,1,3]benzoselenadiazole-6,11-dione
SMILESO=C1c2ccccc2C(=O)c2c1ccc1n[se]nc21
InChIInChI=1S/C14H6N2O2Se/c17-13-7-3-1-2-4-8(7)14(18)11-9(13)5-6-10-12(11)16-19-15-10/h1-6H
InChIKeyGECUUSZVAWIRDD-UHFFFAOYSA-N
XLogP1.46
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.17
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of naphtho[2,3-g][2,1,3]benzoselenadiazole-6,11-dione?
The IUPAC name of naphtho[2,3-g][2,1,3]benzoselenadiazole-6,11-dione (CID 3314021) is naphtho[2,3-g][2,1,3]benzoselenadiazole-6,11-dione.
What is the SMILES notation for naphtho[2,3-g][2,1,3]benzoselenadiazole-6,11-dione?
The canonical SMILES for naphtho[2,3-g][2,1,3]benzoselenadiazole-6,11-dione is O=C1c2ccccc2C(=O)c2c1ccc1n[se]nc21.
What is the InChIKey of naphtho[2,3-g][2,1,3]benzoselenadiazole-6,11-dione?
The InChIKey is GECUUSZVAWIRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6N2O2Se/c17-13-7-3-1-2-4-8(7)14(18)11-9(13)5-6-10-12(11)16-19-15-10/h1-6H.
What are the key properties of naphtho[2,3-g][2,1,3]benzoselenadiazole-6,11-dione?
naphtho[2,3-g][2,1,3]benzoselenadiazole-6,11-dione has a molecular weight of 313.17 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphtho[2,3-g][2,1,3]benzoselenadiazole-6,11-dione is sourced from PubChem (CID 3314021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).