5-hydroxy-2-[2-(5-hydroxy-3-oxo-1,2-benzoselenazol-2-yl)ethyl]-1,2-benzoselenazol-3-one

C16H12N2O4Se2 — CID 70690123

IUPAC5-hydroxy-2-[2-(5-hydroxy-3-oxo-1,2-benzoselenazol-2-yl)ethyl]-1,2-benzoselenazol-3-one
SMILESO=c1c2cc(O)ccc2[se]n1CCn1[se]c2ccc(O)cc2c1=O
InChIInChI=1S/C16H12N2O4Se2/c19-9-1-3-13-11(7-9)15(21)17(23-13)5-6-18-16(22)12-8-10(20)2-4-14(12)24-18/h1-4,7-8,19-20H,5-6H2
InChIKeyOZRKFNKYXQVVSD-UHFFFAOYSA-N
MW454.20 g/mol
LogP0.54
Rot. Bonds3

About 5-hydroxy-2-[2-(5-hydroxy-3-oxo-1,2-benzoselenazol-2-yl)ethyl]-1,2-benzoselenazol-3-one

5-hydroxy-2-[2-(5-hydroxy-3-oxo-1,2-benzoselenazol-2-yl)ethyl]-1,2-benzoselenazol-3-one (PubChem CID 70690123) has the molecular formula C16H12N2O4Se2 and a molecular weight of 454.20 g/mol. Its IUPAC name is 5-hydroxy-2-[2-(5-hydroxy-3-oxo-1,2-benzoselenazol-2-yl)ethyl]-1,2-benzoselenazol-3-one.

Molecular Properties

Compound Name5-hydroxy-2-[2-(5-hydroxy-3-oxo-1,2-benzoselenazol-2-yl)ethyl]-1,2-benzoselenazol-3-one
PubChem CID70690123
Molecular FormulaC16H12N2O4Se2
Molecular Weight454.20 g/mol
Exact Mass455.91
IUPAC Name5-hydroxy-2-[2-(5-hydroxy-3-oxo-1,2-benzoselenazol-2-yl)ethyl]-1,2-benzoselenazol-3-one
SMILESO=c1c2cc(O)ccc2[se]n1CCn1[se]c2ccc(O)cc2c1=O
InChIInChI=1S/C16H12N2O4Se2/c19-9-1-3-13-11(7-9)15(21)17(23-13)5-6-18-16(22)12-8-10(20)2-4-14(12)24-18/h1-4,7-8,19-20H,5-6H2
InChIKeyOZRKFNKYXQVVSD-UHFFFAOYSA-N
XLogP0.54
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.20
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-hydroxy-2-[2-(5-hydroxy-3-oxo-1,2-benzoselenazol-2-yl)ethyl]-1,2-benzoselenazol-3-one 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 5-hydroxy-2-[2-(5-hydroxy-3-oxo-1,2-benzoselenazol-2-yl)ethyl]-1,2-benzoselenazol-3-one?
The IUPAC name of 5-hydroxy-2-[2-(5-hydroxy-3-oxo-1,2-benzoselenazol-2-yl)ethyl]-1,2-benzoselenazol-3-one (CID 70690123) is 5-hydroxy-2-[2-(5-hydroxy-3-oxo-1,2-benzoselenazol-2-yl)ethyl]-1,2-benzoselenazol-3-one.
What is the SMILES notation for 5-hydroxy-2-[2-(5-hydroxy-3-oxo-1,2-benzoselenazol-2-yl)ethyl]-1,2-benzoselenazol-3-one?
The canonical SMILES for 5-hydroxy-2-[2-(5-hydroxy-3-oxo-1,2-benzoselenazol-2-yl)ethyl]-1,2-benzoselenazol-3-one is O=c1c2cc(O)ccc2[se]n1CCn1[se]c2ccc(O)cc2c1=O.
What is the InChIKey of 5-hydroxy-2-[2-(5-hydroxy-3-oxo-1,2-benzoselenazol-2-yl)ethyl]-1,2-benzoselenazol-3-one?
The InChIKey is OZRKFNKYXQVVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4Se2/c19-9-1-3-13-11(7-9)15(21)17(23-13)5-6-18-16(22)12-8-10(20)2-4-14(12)24-18/h1-4,7-8,19-20H,5-6H2.
What are the key properties of 5-hydroxy-2-[2-(5-hydroxy-3-oxo-1,2-benzoselenazol-2-yl)ethyl]-1,2-benzoselenazol-3-one?
5-hydroxy-2-[2-(5-hydroxy-3-oxo-1,2-benzoselenazol-2-yl)ethyl]-1,2-benzoselenazol-3-one has a molecular weight of 454.20 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[2-(5-hydroxy-3-oxo-1,2-benzoselenazol-2-yl)ethyl]-1,2-benzoselenazol-3-one is sourced from PubChem (CID 70690123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).